SCHEMBL4932065

SCHEMBL4932065

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(CC1CC(Br)=NO1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.49
TACR1 P25103 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MPO P05164 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
MC4R P32245 2/20 0.44
MC5R P33032 1/20 0.44
MC3R P41968 1/20 0.44
ACE P12821 2/20 0.42
MME P08473 1/20 0.42
ECE1 P42892 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL4934029 0.91 TACR1 (0.45) TGM2TACR1MEN1KMT2AKDM4E
SCHEMBL9826306 0.90 TACR1 (0.45) TGM2TACR1MEN1KMT2AKDM4E
SCHEMBL4934993 0.86 TGM2 (0.49) TGM2LTA4H
SCHEMBL4934061 0.86 TGM2 (0.49) TGM2LTA4H
SCHEMBL9825676 0.82 TGM2 (0.47) TGM2TSHRLTA4H
SCHEMBL4950332 0.81 TGM2 (0.47) TGM2TSHRLTA4H
SCHEMBL9825692 0.80 TGM2 (0.46) TGM2LMNALTA4H
SCHEMBL9826320 0.80 TGM2 (0.43) TGM2TSHRBLM
SCHEMBL9825861 0.80 TACR1 (0.45) TACR1MEN1KMT2AKDM4ELMNA
SCHEMBL9825838 0.79 TGM2 (0.41) TGM2MAPT

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 16/4885TACR1 4053/4885MEN1 652/4885

“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.