SCHEMBL4597486

SCHEMBL4597486

O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)NCC1CC(Br)=NO1)OCc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.86
NMBR P28336 3/20 0.55
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.51
CA2 P00918 1/20 0.49
BMP1 P13497 1/20 0.49
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
ECE1 P42892 1/20 0.47

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
SCHEMBL14070447 1.00 TGM2 (0.86) TGM2NMBRMAPTGAAHTT
SCHEMBL4931009 1.00 TGM2 (0.86) TGM2NMBRMAPTGAAHTT
SCHEMBL4299691 0.93 TGM2 (1.00) TGM2NMBRMAPTGAAHTT
SCHEMBL1092215 0.92 TGM2 (0.83) TGM2NMBRMAPTGAAHTT
SCHEMBL5143184 0.92 TGM2 (0.83) TGM2NMBRMAPTGAAHTT
SCHEMBL1092213 0.92 TGM2 (0.83) TGM2NMBRMAPTGAAHTT
SCHEMBL4935366 0.92 TGM2 (0.73) TGM2NMBRMAPTGAAHTT
SCHEMBL9825335 0.91 TGM2 (0.81) TGM2NMBRMAPTGAAHTT
SCHEMBL9826039 0.90 TGM2 (0.71) TGM2NMBRMAPTGAAHTT
SCHEMBL4298214 0.90 TGM2 (1.00) TGM2NMBRMAPTGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080233102-A1 Drug Therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-09-25 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
WO-2005049064-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-06-02 WO claimed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP claimed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP claimed
US-20080299170-A1 Medical Devices and Coatings Therefor ASTON UNIVERSITY (GB) 2008-12-04 US disclosed
US-20080233102-A1 Drug Therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-09-25 US disclosed
EP-1907027-A2 MEDICAL DEVICES AND COATINGS THEREFOR Aston University (GB) 2008-04-09 EP disclosed
WO-2007010201-A2 MEDICAL DEVICES AND COATINGS THEREFOR ASTON UNIVERSITY (GB) 2007-01-25 WO disclosed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP 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-20080233102-A1 Drug Therapy for Celiac Sprue SI, DNPEP, SPINT2 TGM2 13/4885NMBR 3164/4885MAPT 1393/4885
US-20080299170-A1 Medical Devices and Coatings Therefor F8, HABP2, TFPI TGM2 16/4885NMBR 3605/4885MAPT 3049/4885

“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.