SCHEMBL583121

SCHEMBL583121

NC(Cc1ccccc1)C(=O)NC([C]=O)Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 9/20 0.76
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC7A5 Q01650 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CTSH P09668 1/20 0.53
CYP2D6 P10635 1/20 0.53
CTSK P43235 1/20 0.53
SLC15A1 P46059 1/20 0.51
LTA4H P09960 1/20 0.49

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
SCHEMBL9144573 1.00 CTSC (0.76) CTSCALPIPKMPTGS1XIAP
SCHEMBL1691349 1.00 CTSC (0.76) CTSCALPIPKMPTGS1XIAP
SCHEMBL583122 1.00 CTSC (0.76) CTSCALPIPKMPTGS1XIAP
SCHEMBL9389290 1.00 CTSC (0.76) CTSCALPIPKMPTGS1XIAP
SCHEMBL2813084 0.98 CTSC (0.74) CTSCALPIPKMPTGS1XIAP
SCHEMBL4588611 0.98 CTSC (0.74) CTSCALPIPKMPTGS1XIAP
SCHEMBL9293695 0.93 CTSC (0.67) CTSCSLC7A5CYP1A2CYP3A4CTSH
SCHEMBL5996736 0.93 CTSC (0.67) CTSCSLC7A5CYP1A2CYP3A4CTSH
SCHEMBL8893265 0.93 CTSC (0.67) CTSCSLC7A5CYP1A2CYP3A4CTSH
SCHEMBL9143188 0.93 CTSC (0.67) CTSCSLC7A5CYP1A2CYP3A4CTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2021-10-26 US claimed
US-20210077468-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2021-03-18 US claimed
US-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2020-09-10 US claimed
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2020-02-11 US claimed
US-20180303950-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2018-10-25 US claimed
US-9951324-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2018-04-24 US claimed
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2016-06-02 US claimed
CN-104873982-A PSMA binding ligand-linker conjugates and methods of use thereof PURDUE RESEARCH FOUNDATION 2015-09-02 CN claimed
US-8669229-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-11 US claimed
CN-103342680-A Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD 2013-10-09 CN claimed
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-03-24 US claimed
EP-2187965-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-05-26 EP claimed
WO-2010045598-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-04-22 WO claimed
EP-2170831-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS Otsuka Pharmaceutical Co., Ltd. (JP) 2010-04-07 EP claimed
CN-101687805-A Benzazepine  derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD 2010-03-31 CN claimed
WO-2009026177-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2009-02-26 WO claimed
WO-2009001968-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-31 WO claimed
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP claimed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US claimed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 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 (7 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-20210077468-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CTSC 581/4885ALPI 865/4885PKM 1687/4885
US-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CTSC 572/4885ALPI 892/4885PKM 1736/4885
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CTSC 572/4885ALPI 892/4885PKM 1736/4885
US-20180303950-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CTSC 581/4885ALPI 865/4885PKM 1687/4885
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CTSC 572/4885ALPI 892/4885PKM 1736/4885
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS AVPR2, AVPR1B, AVPR1A CTSC 863/4885ALPI 4717/4885PKM 2225/4885
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CTSC 572/4885ALPI 892/4885PKM 1736/4885

“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.