SCHEMBL231980

SCHEMBL231980

CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.71
CTSK P43235 5/20 0.71
ACE P12821 1/20 0.64
ITGB3 P05106 1/20 0.63
ITGA2B P08514 1/20 0.63
PPARA Q07869 4/20 0.58
FOLH1 Q04609 1/20 0.57
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
PTPN1 P18031 3/20 0.56
PPARG P37231 3/20 0.56
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.53
PPARD Q03181 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1310547 1.00 CTSS (0.71) CTSSCTSKACEITGB3ITGA2B
SCHEMBL231981 1.00 CTSS (0.71) CTSSCTSKACEITGB3ITGA2B
Benzene SCHEMBL6474758 0.99 CTSS (0.70) CTSSCTSKACEITGB3ITGA2B
Benzene SCHEMBL3925161 0.99 CTSS (0.70) CTSSCTSKACEITGB3ITGA2B
SCHEMBL28630396 0.95 CTSS (0.72) CTSSCTSKACEITGB3ITGA2B
SCHEMBL29824479 0.91 CTSS (0.68) CTSSCTSKACEITGB3ITGA2B
SCHEMBL28486021 0.91 CTSS (0.61) CTSSCTSKACEITGB3ITGA2B
SCHEMBL7656189 0.91 PPARA (0.69) CTSSCTSKACEITGB3ITGA2B
SCHEMBL10380744 0.90 ACE (0.64) CTSSCTSKACEITGB3ITGA2B
SCHEMBL3270946 0.90 CTSS (0.60) CTSSCTSKACEITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 457 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110776555-B Difunctional D-amino acid modified opioid peptide compound and synthetic method and application thereof 王锐 2023-10-13 CN claimed
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO claimed
CN-106967151-B Multi-site combination modified endomorphin analogue and synthesis and application thereof 兰州大学 2020-08-11 CN claimed
CN-110776555-A Bifunctional D-amino acid modified opioid peptide compound and synthesis method and application thereof 王锐 2020-02-11 CN claimed
CN-110201182-A A kind of taxol-DHA- dextran coupling polymer and its synthetic method and application 山东大学 2019-09-06 CN claimed
CN-109897087-A A kind of phosphated peptide section and protein-enriched methods and applications 中国科学院大连化学物理研究所 2019-06-18 CN claimed
CN-105848771-B High-speed centrifugal mixing arrangement and application method 迪美公司 2018-07-10 CN claimed
CN-105848771-A High-speed centrifugal mixing devices and methods of use 迪美公司 2016-08-10 CN claimed
CN-104877005-A Non-natural amino acid modified endomorphin-1 analogue as well as synthesis method and application thereof UNIV LANZHOU 2015-09-02 CN claimed
CN-103214552-B Synthesis and application of multi-site modified endomorphin-1 analogue UNIV LANZHOU 2015-01-21 CN claimed
CN-102558297-B Endomorphin-1 analogue modified by alpha-alkenyl-beta-amino acid and composition and application thereof UNIV LANGZHOU 2013-07-17 CN claimed
WO-2013001088-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F]FLUOROMETHYL) TYROSINE PIRAMAL IMAGING SA (CH) 2013-01-03 WO claimed
CN-102558297-A Endomorphin-1 analogue modified by alpha-alkenyl-beta-amino acid and composition and application thereof UNIV LANGZHOU 2012-07-11 CN claimed
US-20120004183-A1 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2012-01-05 US claimed
EP-1636340-A4 UNNATURAL REACTIVE AMINO ACID GENETIC CODE ADDITIONS SCRIPPS RESEARCH INST (US) 2009-02-11 EP claimed
US-20060246509-A1 protein containing an amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug by a [3+2] cycloaddition; translation biochemistry in eukaryotic cells; gene expression inhibitors THE SCRIPPS RESEARCH INSTITUTE 2006-11-02 US claimed
EP-1636340-A2 UNNATURAL REACTIVE AMINO ACID GENETIC CODE ADDITIONS The Scripps Research Institute (US) 2006-03-22 EP claimed
WO-2005003294-A2 UNNATURAL REACTIVE AMINO ACID GENETIC CODE ADDITIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-01-13 WO claimed
US-20040265952-A1 protein containing a modified amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug that carries an alkynyl or azido group; translation biochemistry in eukaryotic cells; gene expression inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2004-12-30 US claimed
EP-0049500-B1 TYROSINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE IN THE SYNTHESIS OF PEPTIDES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1984-02-22 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060246509-A1 protein containing an amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug by a [3+2] cycloaddition; translation biochemistry in eukaryotic cells; gene expression inhibitors AARS1, ASNS, KARS1 CTSS 1060/4885CTSK 3878/4885ACE 1326/4885
US-20120004183-A1 Unnatural reactive amino acid genetic code additions AARS1, NSUN3, OSGEP CTSS 974/4885CTSK 3379/4885ACE 1067/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.