SCHEMBL4800142

SCHEMBL4800142

CNC(=O)c1ccccc1-c1cc2c(cc1F)C=Cc1ccccc1N(C(C)=O)C2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 13/20 0.46
GAA P10253 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX4 Q99571 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL4800132 1.00 HSD17B3 (0.46) HSD17B3GAAALOX5APFEN1NOTUM
SCHEMBL4801450 0.89 HSD17B3 (0.56) HSD17B3GAANOTUM
SCHEMBL4801463 0.89 HSD17B3 (0.56) HSD17B3GAANOTUM
SCHEMBL4796170 0.89 HSD17B3 (0.54) HSD17B3GAAALOX5APFEN1NOTUM
SCHEMBL4796176 0.89 HSD17B3 (0.54) HSD17B3GAAALOX5APFEN1NOTUM
SCHEMBL4799504 0.89 HSD17B3 (0.46) HSD17B3ALOX5APFEN1NOTUMP2RX4
SCHEMBL4799514 0.89 HSD17B3 (0.46) HSD17B3ALOX5APFEN1NOTUMP2RX4
SCHEMBL4801178 0.86 HSD17B3 (0.41) HSD17B3GAAALOX5APFEN1KDM4E
SCHEMBL4801187 0.86 HSD17B3 (0.41) HSD17B3GAAALOX5APFEN1KDM4E
SCHEMBL4796190 0.81 HSD17B3 (0.48) HSD17B3NOTUMP2RX4CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 HSD17B3 1/4885GAA 811/4885ALOX5AP 3649/4885

“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.