Illuminating the Druggable Genome through Patent Bioactivity Data
María Paula MagariñosiD, Anna GaultoniD, Eloy FélixiD, Tevfik KizilöreniD, Ricardo ArcilaiD, Tudor Ionel OpreaiD, Andrew R. LeachiD
Abstract
The patent literature is a potentially valuable source of bioactivity data. The SureChEMBL database (https://www.surechembl.org/) is a publicly available large-scale resource that contains compounds extracted on a daily basis from the full text, images and attachments of patent documents, through an automated text and image-mining pipeline. In this paper we describe a process to prioritise 3.7 million life science relevant patents obtained from SureChEMBL, according to how likely they were to contain bioactivity data for potent small molecules on less-studied targets, according to the classification developed by the Illuminating the Druggable Genome (IDG) project. The overall goal was to select a smaller number of patents that could be manually curated and incorporated into the ChEMBL database. We describe the approach taken, the results obtained, and provide some illustrative examples.
02 /Specification & Classification
Click any tag to browse matching papers- Citations
- 11
- FWCI
- 1.57
- Field percentile
- top 17%
- Research Focus
- Approach
Reproducibility ledger
Nobody has reported trying to reproduce this paper yet. Did you replicate an experiment or run the code? Your report saves the next lab a week.
Sign in to file a reproducibility report.
Related papers
- Medicinal chemistry lens on patent data in SureChEMBL
Yojana Gadiya, Simran Shetty, … Andrea Zaliani·Scientific DataPeer-reviewed·May 16, 2024
- PEMT: A patent enrichment tool for drug discovery
Yojana Gadiya, Andrea Zaliani, … Martin Hofmann‐Apitius·BioinformaticsPeer-reviewed·Nov 1, 2022
- Integration of diverse bioactivity data into the Chemical Checker compound universe
Arnau Comajuncosa-Creus, Martino Bertoni, … Patrick Aloy·Nature ProtocolsPeer-reviewed·May 21, 2025
- Evaluation of search-enabled Pre-trained Large Language Models on retrieval tasks for the PubChem Database
Ash Sze, Soha Hassoun·Bioinformatics AdvancesPeer-reviewed·Dec 26, 2024
- Cheminformatics tools for analyzing and designing optimized small molecule libraries
Nienke Moret, Nicholas A. Clark, … Peter Karl Sorger·Cell chemical biologyPeer-reviewed·Jan 1, 2018
- Extending the small molecule similarity principle to all levels of biology
Miquel Duran‐Frigola, Eduardo Pauls, … Patrick Aloy·bioRxiv·Aug 24, 2019