SCHEMBL5042813

SCHEMBL5042813

CC(=O)N1Cc2cc(-c3ccccc3S(=O)(=O)N(C)C)cnc2C=Cc2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 16/20 0.53
ALOX5AP P20292 4/20 0.38
FEN1 P39748 4/20 0.38

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
SCHEMBL5042811 1.00 HSD17B3 (0.53) HSD17B3ALOX5APFEN1
SCHEMBL15088532 0.89 HSD17B3 (0.52) HSD17B3ALOX5APFEN1
SCHEMBL4800993 0.86 HSD17B3 (0.60) HSD17B3
SCHEMBL4800979 0.86 HSD17B3 (0.60) HSD17B3
SCHEMBL5042896 0.84 HSD17B3 (0.58) HSD17B3
SCHEMBL5042898 0.84 HSD17B3 (0.58) HSD17B3
SCHEMBL5044809 0.84 HSD17B3 (0.54) HSD17B3ALOX5APFEN1
SCHEMBL5044817 0.84 HSD17B3 (0.54) HSD17B3ALOX5APFEN1
SCHEMBL4799369 0.77 HSD17B3 (0.62) HSD17B3
SCHEMBL4799378 0.77 HSD17B3 (0.62) HSD17B3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 EP disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1725565-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 Bristol-Myers Squibb Company (US) 2006-11-29 EP disclosed
WO-2005084295-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO disclosed
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 US 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-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B1, HSD17B2 HSD17B3 1/4885ALOX5AP 3581/4885FEN1 1933/4885

“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.