SCHEMBL1091980

SCHEMBL1091980

CC(=O)NC(Cc1ccccc1)C(=O)NCC1CC(Br)=NO1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.71
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN9A Q15858 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
RAB9A P51151 1/20 0.45
PSMB8 P28062 2/20 0.43
PSMB11 A5LHX3 1/20 0.43

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
SCHEMBL1091976 1.00 TGM2 (0.71) TGM2CTSSCTSKCA12CA1
SCHEMBL1091978 1.00 TGM2 (0.71) TGM2CTSSCTSKCA12CA1
SCHEMBL4598750 0.88 TGM2 (0.70) TGM2CTSSCTSK
SCHEMBL12145565 0.88 TGM2 (0.56) TGM2CTSSCTSKCA12CA1
SCHEMBL4935926 0.88 TGM2 (0.72) TGM2CTSSCTSK
SCHEMBL9827028 0.88 TGM2 (0.69) TGM2CTSS
SCHEMBL1091157 0.87 TGM2 (0.93) TGM2CTSSCTSK
SCHEMBL1091124 0.87 TGM2 (0.93) TGM2CTSSCTSK
SCHEMBL1091158 0.87 TGM2 (0.93) TGM2CTSSCTSK
SCHEMBL1091121 0.87 TGM2 (0.93) TGM2CTSSCTSK

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 27 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
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
JP-2007511607-A 2007-05-10 JP claimed
EP-1706129-A1 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2006-10-04 EP 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
WO-2005049064-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-06-02 WO 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
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 13/4885CTSS 163/4885CTSK 184/4885
US-20090042806-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 TGM2 1/4885CTSS 246/4885CTSK 161/4885
US-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 TGM2 1/4885CTSS 246/4885CTSK 161/4885
US-20110286995-A1 Drug Therapy for Celiac Sprue SI, DNPEP, SPINT2 TGM2 13/4885CTSS 163/4885CTSK 184/4885
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 5/4885CTSS 392/4885CTSK 702/4885
US-20040167069-A1 Drug therapy for Celiac Sprue SI, DNPEP, SPINT2 TGM2 13/4885CTSS 163/4885CTSK 184/4885
US-20090312272-A1 Transglutaminase inhibitors and methods of use thereof TGM2, TGM3, TGM1 TGM2 1/4885CTSS 246/4885CTSK 161/4885

“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.