SCHEMBL1091124

SCHEMBL1091124

O=C(NC(Cc1ccccc1)C(=O)NC[C@H]1CC(Br)=NO1)OCc1ccccc1

nearest known ligand 0.93

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.93
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
TACR1 P25103 2/20 0.52

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
SCHEMBL1091157 1.00 TGM2 (0.93) TGM2CTSLCTSBCTSSCTSK
SCHEMBL1091121 1.00 TGM2 (0.93) TGM2CTSLCTSBCTSSCTSK
SCHEMBL3015992 1.00 TGM2 (0.93) TGM2CTSLCTSBCTSSCTSK
SCHEMBL1091158 1.00 TGM2 (0.93) TGM2CTSLCTSBCTSSCTSK
SCHEMBL1103744 0.96 TGM2 (1.00) TGM2CTSLCTSBCTSSCTSK
SCHEMBL13934076 0.96 TGM2 (1.00) TGM2CTSLCTSBCTSSCTSK
SCHEMBL14070443 0.94 TGM2 (0.86) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9826132 0.94 TGM2 (0.86) TGM2CTSLCTSBCTSSCTSK
SCHEMBL4925942 0.94 TGM2 (0.86) TGM2CTSLCTSBCTSSCTSK
SCHEMBL4950327 0.94 TGM2 (0.86) TGM2CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110286995-A1 Drug Therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-11-24 US claimed
US-20090312272-A1 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY; AND THE WASHINGTON UNIVERSITY 2009-12-17 US claimed
US-20090042806-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2009-02-12 US claimed
EP-1931205-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-06-18 EP claimed
US-20080044401-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-02-21 US claimed
US-7265093-B2 Drug therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-09-04 US claimed
WO-2007025247-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-03-01 WO claimed
US-20060052308-A1 Administering to a patient an effective dose of [(S)-1-[(3-Bromo-4,5-dihydro-isoxazol-5-ylmethyl)-methyl-carbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester; treatment of glioblastoma, meningioma, melanoma and colon cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-03-09 US claimed
US-20040167069-A1 Drug therapy for Celiac Sprue NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-08-26 US claimed
US-8871718-B2 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-28 US disclosed
US-8470782-B2 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-06-25 US disclosed
US-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-04-25 US disclosed
US-8153593-B2 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-10 US disclosed
US-20110286995-A1 Drug Therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-11-24 US disclosed
US-7265093-B2 Drug therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-09-04 US disclosed
WO-2007025247-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-03-01 WO disclosed
EP-1706129-A1 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2006-10-04 EP disclosed
US-20060052308-A1 Administering to a patient an effective dose of [(S)-1-[(3-Bromo-4,5-dihydro-isoxazol-5-ylmethyl)-methyl-carbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester; treatment of glioblastoma, meningioma, melanoma and colon cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-03-09 US disclosed
WO-2005049064-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-06-02 WO disclosed
US-20040167069-A1 Drug therapy for Celiac Sprue NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-08-26 US disclosed

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-20080044401-A1 DRUG THERAPY FOR CELIAC SPRUE SI, DNPEP, SPINT2 TGM2 13/4885CTSL 188/4885CTSB 127/4885
US-20090042806-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 TGM2 1/4885CTSL 226/4885CTSB 131/4885
US-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 TGM2 1/4885CTSL 226/4885CTSB 131/4885
US-20110286995-A1 Drug Therapy for Celiac Sprue SI, DNPEP, SPINT2 TGM2 13/4885CTSL 188/4885CTSB 127/4885
US-20060052308-A1 Administering to a patient an effective dose of [(S)-1-[(3-Bromo-4,5-dihydro-isoxazol-5-ylmethyl)-methyl-carbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester; treatment of glioblastoma, meningioma, melanoma and colon cancer MGMT, GMFG, HNMT TGM2 5/4885CTSL 400/4885CTSB 420/4885
US-20040167069-A1 Drug therapy for Celiac Sprue SI, DNPEP, SPINT2 TGM2 13/4885CTSL 188/4885CTSB 127/4885
US-20090312272-A1 Transglutaminase inhibitors and methods of use thereof TGM2, TGM3, TGM1 TGM2 1/4885CTSL 226/4885CTSB 131/4885

“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.