SCHEMBL4933034

SCHEMBL4933034

N[C@@H](Cc1ccc(O)cc1C(=O)N(CC1CC(Br)=NO1)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.44
ITGB3 P05106 2/20 0.34
ITGA2B P08514 1/20 0.34
GRIA2 P42262 1/20 0.33
TYR P14679 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LTA4H P09960 1/20 0.33
PLA2G2A P14555 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC7A5 Q01650 2/20 0.32
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
ITGAV P06756 1/20 0.32

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
SCHEMBL4656570 0.91 TGM2 (0.35) TGM2ITGB3ITGA2BGRIA2TYR
SCHEMBL9825852 0.90 ITGB3 (0.35) TGM2ITGB3ITGA2BGRIA2TYR
SCHEMBL9825261 0.87 ITGB3 (0.34) TGM2ITGB3ITGA2BGRIA2TYR
SCHEMBL4934179 0.87 TGM2 (0.45) TGM2GRIA2TYRSLC7A5ALPI
SCHEMBL4934061 0.80 TGM2 (0.49) TGM2ITGB3ITGA2BTYRLTA4H
SCHEMBL4934993 0.80 TGM2 (0.49) TGM2ITGB3ITGA2BTYRLTA4H
SCHEMBL9827156 0.80 TGM2 (0.49) TGM2MEN1KMT2A
SCHEMBL4929784 0.78 SLC7A5 (0.40) TGM2ITGB3ITGA2BGRIA2TYR
SCHEMBL9825827 0.77 SLC7A5 (0.39) TGM2ITGB3ITGA2BGRIA2SLC7A5
SCHEMBL9825676 0.77 TGM2 (0.47) TGM2ITGB3ITGA2BTYRLTA4H

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 16/4885ITGB3 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.