SCHEMBL1091920

SCHEMBL1091920

O=C(NC(Cc1c[nH]c2ccc(F)cc12)C(=O)NCC1CC(Br)=NO1)OCc1cnc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 13/20 1.00
CCKBR P32239 1/20 0.44
NMBR P28336 2/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL13934068 1.00 TGM2 (1.00) TGM2CCKBRNMBRMAPTLMNA
SCHEMBL4401238 1.00 TGM2 (1.00) TGM2CCKBRNMBRMAPTLMNA
SCHEMBL4395231 1.00 TGM2 (1.00) TGM2CCKBRNMBRMAPTLMNA
SCHEMBL4298214 0.93 TGM2 (1.00) TGM2NMBRMAPTLMNAGAA
SCHEMBL4302162 0.91 TGM2 (1.00) TGM2CCKBRNMBRMAPTLMNA
SCHEMBL4299691 0.90 TGM2 (1.00) TGM2NMBRMAPTLMNAGAA
SCHEMBL4305321 0.84 TGM2 (1.00) TGM2NMBRMAPTLMNAGAA
SCHEMBL14070447 0.83 TGM2 (0.86) TGM2NMBRMAPTLMNAGAA
SCHEMBL4931009 0.83 TGM2 (0.86) TGM2NMBRMAPTLMNAGAA
SCHEMBL4597486 0.83 TGM2 (0.86) TGM2NMBRMAPTLMNAGAA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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-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-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 disclosed
US-7579313-B2 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 (US) 2009-08-25 US disclosed
US-20090042806-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2009-02-12 US disclosed
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 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
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

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

For each of this compound's patents that has machine-readable text (4 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-20090042806-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 TGM2 1/4885CCKBR 1462/4885NMBR 2319/4885
US-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 TGM2 1/4885CCKBR 1462/4885NMBR 2319/4885
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 5/4885CCKBR 1042/4885NMBR 792/4885
US-20090312272-A1 Transglutaminase inhibitors and methods of use thereof TGM2, TGM3, TGM1 TGM2 1/4885CCKBR 1462/4885NMBR 2319/4885

“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.