SCHEMBL5483795

SCHEMBL5483795

O=C(CC(NC(=O)OCc1ccccc1)C(=O)NCC1CC(Br)=NO1)NCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.73
CYP1A2 P05177 1/20 0.46
ITGB3 P05106 7/20 0.45
ITGAV P06756 7/20 0.45
ITGA2B P08514 4/20 0.45

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
SCHEMBL1091637 1.00 TGM2 (0.73) TGM2CYP1A2ITGB3ITGAVITGA2B
SCHEMBL1091635 1.00 TGM2 (0.73) TGM2CYP1A2ITGB3ITGAVITGA2B
SCHEMBL1092076 0.89 TGM2 (0.67) TGM2CYP1A2ITGB3ITGAVITGA2B
SCHEMBL1092077 0.89 TGM2 (0.67) TGM2CYP1A2ITGB3ITGAVITGA2B
SCHEMBL1091157 0.88 TGM2 (0.93) TGM2
SCHEMBL1091124 0.88 TGM2 (0.93) TGM2
SCHEMBL1091121 0.88 TGM2 (0.93) TGM2
SCHEMBL3015992 0.88 TGM2 (0.93) TGM2
SCHEMBL1091158 0.88 TGM2 (0.93) TGM2
SCHEMBL9826332 0.87 TGM2 (0.75) TGM2CYP1A2ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-7265093-B2 Drug therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-09-04 US 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 (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-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 TGM2 1/4885CYP1A2 1958/4885ITGB3 1426/4885
US-20040167069-A1 Drug therapy for Celiac Sprue SI, DNPEP, SPINT2 TGM2 13/4885CYP1A2 2474/4885ITGB3 3613/4885

“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.