SCHEMBL4598860

SCHEMBL4598860

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.42
IARS1 P41252 2/20 0.37
SLC15A1 P46059 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
ITGAV P06756 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 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
SCHEMBL4598577 0.92 TGM2 (0.44) TGM2SLC15A1ITGB3ITGA2BITGAV
SCHEMBL9825800 0.90 IARS1 (0.37) TGM2IARS1SLC15A1ITGB3ITGA2B
SCHEMBL9825695 0.89 IARS1 (0.40) TGM2IARS1SLC15A1ITGB3ITGA2B
SCHEMBL4934061 0.85 TGM2 (0.49) TGM2SLC15A1ITGB3ITGA2BITGAV
SCHEMBL4934993 0.85 TGM2 (0.49) TGM2SLC15A1ITGB3ITGA2BITGAV
SCHEMBL9827156 0.84 TGM2 (0.49) TGM2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9826686 0.82 TGM2 (0.41) TGM2ITGB3ITGA2B
SCHEMBL9825868 0.81 L3MBTL1 (0.36) TGM2SLC15A1ITGB3ITGA2BITGAV
SCHEMBL9826313 0.81 TGM2 (0.42) TGM2ITGB3ITGA2BITGAV
SCHEMBL9825676 0.81 TGM2 (0.47) TGM2SLC15A1ITGB3ITGA2BITGAV

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 16/4885IARS1 2304/4885SLC15A1 1960/4885

“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.