SCHEMBL4934726

SCHEMBL4934726

C[C@@H](C(=O)NCC1CC(Cl)=NO1)N(C(=O)OCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.44
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP1 P29466 1/20 0.35
LMNA P02545 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 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
SCHEMBL9826662 0.92 TGM2 (0.53) TGM2CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL9825126 0.89 TGM2 (0.43) TGM2CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL9825407 0.88 TGM2 (0.42) TGM2CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL9825633 0.86 LMNA (0.36) TGM2ALDH1A1CYP3A4HPGDCYP2C19
SCHEMBL9825565 0.78 TGM2 (0.47) TGM2CYP1A2LMNAITGB3ITGA2B
SCHEMBL4598486 0.78 TGM2 (0.43) TGM2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL9826099 0.76 ALDH1A1 (0.44) TGM2CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL9825413 0.76 TGM2 (0.37) TGM2CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL9827027 0.76 TGM2 (0.35) TGM2CYP1A2ALDH1A1CYP3A4HPGD
SCHEMBL7138305 0.75 CASP1 (0.41) ALDH1A1HPGDCASP1LMNA

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 7 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-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 16/4885CYP1A2 912/4885ALDH1A1 3341/4885

“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.