SCHEMBL4935929

SCHEMBL4935929

CC(C)(C)OC(=O)N(CC1CC(Br)=NO1)C(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.40
SLC7A5 Q01650 2/20 0.38
MLYCD O95822 1/20 0.37
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
JAK2 O60674 1/20 0.34
S1PR4 O95977 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9826287 0.89 SLC7A5 (0.37) SLC7A5MLYCDALPIPKMPTGS1
SCHEMBL9825591 0.89 SLC7A5 (0.36) SLC7A5MLYCDALPIPKMPTGS1
SCHEMBL4934061 0.87 TGM2 (0.49) TGM2SLC7A5ALPIPKMPTGS1
SCHEMBL4934993 0.87 TGM2 (0.49) TGM2SLC7A5ALPIPKMPTGS1
SCHEMBL9826376 0.87 TGM2 (0.41) TGM2SLC7A5ALPIPKMPTGS1
SCHEMBL4598756 0.85 TGM2 (0.42) TGM2SLC7A5ALPIPKMPTGS1
SCHEMBL9825555 0.84 TGM2 (0.38) TGM2MLYCDNPSR1THRBPPARG
SCHEMBL9825838 0.83 TGM2 (0.41) TGM2SLC7A5ALPIPKMPTGS1
SCHEMBL9825676 0.83 TGM2 (0.47) TGM2SLC7A5ALPIPKMPTGS1
SCHEMBL9825692 0.83 TGM2 (0.46) TGM2LMNA

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 16/4885SLC7A5 3196/4885MLYCD 700/4885

“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.