SCHEMBL4598760

SCHEMBL4598760

NCC(=O)N(CC1CC(Br)=NO1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.45
ITGB3 P05106 2/20 0.37
ITGA2B P08514 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
ITGAV P06756 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL9827156 0.91 TGM2 (0.49) TGM2TSHRSMN1; SMN2LMNAMEN1
SCHEMBL9826251 0.88 L3MBTL1 (0.37) TGM2ITGB3ITGA2BSMN1; SMN2CYP2C19
SCHEMBL9826162 0.86 ITGB3 (0.37) TGM2ITGB3ITGA2BTSHRSMN1; SMN2
SCHEMBL4934061 0.83 TGM2 (0.49) TGM2ITGB3ITGA2BITGAV
SCHEMBL4934993 0.83 TGM2 (0.49) TGM2ITGB3ITGA2BITGAV
SCHEMBL4598577 0.83 TGM2 (0.44) TGM2ITGB3ITGA2BSMN1; SMN2CYP2C19
SCHEMBL4598860 0.80 TGM2 (0.42) TGM2ITGB3ITGA2BSMN1; SMN2LMNA
SCHEMBL9826313 0.80 TGM2 (0.42) TGM2ITGB3ITGA2BITGAV
SCHEMBL9825676 0.80 TGM2 (0.47) TGM2ITGB3ITGA2BTSHRITGAV
SCHEMBL4950332 0.79 TGM2 (0.47) TGM2ITGB3ITGA2BTSHRITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20080299170-A1 Medical Devices and Coatings Therefor F8, HABP2, TFPI TGM2 16/4885ITGB3 1053/4885ITGA2B 392/4885

“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.