SCHEMBL4935969

SCHEMBL4935969

C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CC(Br)=NO1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.77
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
CTSB P07858 2/20 0.48
CTSK P43235 1/20 0.48
CYP1A2 P05177 1/20 0.47
PSMB8 P28062 1/20 0.47
PSMB9 P28065 1/20 0.47
PSMB5 P28074 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
SCHEMBL4598571 0.92 TGM2 (0.68) TGM2CTSLCTSSCTSBCYP1A2
SCHEMBL9826720 0.91 TGM2 (0.80) TGM2CTSLCTSSCTSBCTSK
SCHEMBL1091121 0.90 TGM2 (0.93) TGM2CTSLCTSSCTSBCTSK
SCHEMBL3015992 0.90 TGM2 (0.93) TGM2CTSLCTSSCTSBCTSK
SCHEMBL1091158 0.90 TGM2 (0.93) TGM2CTSLCTSSCTSBCTSK
SCHEMBL1091124 0.90 TGM2 (0.93) TGM2CTSLCTSSCTSBCTSK
SCHEMBL1091157 0.90 TGM2 (0.93) TGM2CTSLCTSSCTSBCTSK
SCHEMBL9825731 0.87 TGM2 (0.80) TGM2CTSLCTSSCTSBCTSK
SCHEMBL13934076 0.87 TGM2 (1.00) TGM2CTSLCTSSCTSBCTSK
SCHEMBL1103744 0.87 TGM2 (1.00) TGM2CTSLCTSSCTSBCTSK

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 16/4885CTSL 104/4885CTSS 341/4885

“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.