SCHEMBL4934027

SCHEMBL4934027

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1CC(Cl)=NO1)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.70
NMBR P28336 5/20 0.64
MAPT P10636 2/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
LMNA P02545 1/20 0.59
CA2 P00918 1/20 0.55
ACE P12821 2/20 0.54
MME P08473 1/20 0.54
ECE1 P42892 1/20 0.54

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
SCHEMBL4935366 0.92 TGM2 (0.73) TGM2NMBRMAPTGAAHTT
SCHEMBL5143184 0.91 TGM2 (0.83) TGM2NMBRMAPTGAAHTT
SCHEMBL1092215 0.91 TGM2 (0.83) TGM2NMBRMAPTGAAHTT
SCHEMBL1092213 0.91 TGM2 (0.83) TGM2NMBRMAPTGAAHTT
SCHEMBL9826300 0.89 TGM2 (0.68) TGM2NMBRMAPTGAAHTT
SCHEMBL9825857 0.88 TGM2 (0.67) TGM2NMBRMAPTGAAHTT
SCHEMBL4656563 0.87 TGM2 (0.66) TGM2NMBRMAPTLMNA
SCHEMBL4936394 0.86 TGM2 (0.75) TGM2
SCHEMBL9825343 0.86 TGM2 (0.75) TGM2
SCHEMBL9826600 0.85 TGM2 (0.61) TGM2NMBRMAPTLMNA

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 6 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
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 16/4885NMBR 3605/4885MAPT 3049/4885

“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.