Sugi Predict

Sugi Predict / Compounds / SCHEMBL4598433

SCHEMBL4598433

SCHEMBL4598433

N[C@@H](Cc1ccccc1)C(=O)N(CC1CC(Br)=NO1)C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 7/20 0.38
▸ CYP19A1 P11511 2/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ LMNA P02545 1/20 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
▸ SLC7A5 Q01650 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ REN P00797 1/20 0.30

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
SCHEMBL4934993 0.83 TGM2 (0.49) TGM2ALPIPKMPTGS1XIAP
SCHEMBL4934061 0.83 TGM2 (0.49) TGM2ALPIPKMPTGS1XIAP
SCHEMBL4935929 0.82 TGM2 (0.40) TGM2LMNAALPIPKMPTGS1
SCHEMBL4598756 0.81 TGM2 (0.42) TGM2LMNAALPIPKMPTGS1
SCHEMBL9826376 0.81 TGM2 (0.41) TGM2ALPIPKMPTGS1XIAP
SCHEMBL9825676 0.79 TGM2 (0.47) TGM2ALPIPKMPTGS1XIAP
SCHEMBL4950332 0.79 TGM2 (0.47) TGM2ALPIPKMPTGS1XIAP
SCHEMBL9825788 0.78 TGM2 (0.39) TGM2LMNAALPIPKMPTGS1
SCHEMBL9825838 0.78 TGM2 (0.41) TGM2ALPIPKMPTGS1XIAP
SCHEMBL9825692 0.77 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 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 16/4885CYP19A1 530/4885CYP17A1 780/4885

“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.