SCHEMBL4049020

SCHEMBL4049020

CNC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(C(=O)OC)cc1C=C2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 12/20 0.55
WDR5 P61964 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
SLC6A2 P23975 1/20 0.37
PTPRC P08575 1/20 0.35
CREBBP Q92793 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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
SCHEMBL4049017 1.00 HSD17B3 (0.55) HSD17B3WDR5SLC6A4SLC6A3SLC6A2
SCHEMBL4054112 0.88 HSD17B3 (0.56) HSD17B3
SCHEMBL4054118 0.88 HSD17B3 (0.56) HSD17B3
SCHEMBL4047576 0.87 HSD17B3 (0.59) HSD17B3CREBBPALOX5APFEN1
SCHEMBL4047578 0.87 HSD17B3 (0.59) HSD17B3CREBBPALOX5APFEN1
SCHEMBL4223300 0.86 HSD17B3 (0.71) HSD17B3
SCHEMBL4223294 0.86 HSD17B3 (0.71) HSD17B3
SCHEMBL4803463 0.81 HSD17B3 (0.69) HSD17B3
SCHEMBL4803471 0.81 HSD17B3 (0.69) HSD17B3
SCHEMBL14084482 0.81 HSD17B3 (0.51) HSD17B3CREBBPALOX5APFEN1

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-1720613-A4 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL MYERS SQUIBB CO (US) 2009-05-06 EP disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
EP-1720613-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 Bristol-Myers Squibb Company (US) 2006-11-15 EP disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 US disclosed
WO-2005084296-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO 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 1/4885WDR5 4037/4885SLC6A4 3700/4885

“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.