SCHEMBL4795507

SCHEMBL4795507

CC(=O)c1ccccc1-c1ccc2c(c1)CN(S(C)(=O)=O)c1ccc(Cl)cc1C=C2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 13/20 0.54
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AVPR2 P30518 2/20 0.34
AVPR1A P37288 2/20 0.34
CHEK1 O14757 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4795501 1.00 HSD17B3 (0.54) HSD17B3ALDH1A1NPC1RAB9AAVPR2
SCHEMBL4796937 0.87 HSD17B3 (0.49) HSD17B3ALDH1A1CYP2C9
SCHEMBL4796932 0.87 HSD17B3 (0.49) HSD17B3ALDH1A1CYP2C9
SCHEMBL4795528 0.86 HSD17B3 (0.69) HSD17B3
SCHEMBL4795520 0.86 HSD17B3 (0.69) HSD17B3
SCHEMBL4798014 0.83 HSD17B3 (0.60) HSD17B3
SCHEMBL4798000 0.83 HSD17B3 (0.60) HSD17B3
SCHEMBL4801158 0.81 HSD17B3 (0.57) HSD17B3AVPR2AVPR1ACYP2C9
SCHEMBL4801164 0.81 HSD17B3 (0.57) HSD17B3AVPR2AVPR1ACYP2C9
SCHEMBL4800474 0.81 HSD17B3 (0.67) 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 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 1/4885ALDH1A1 186/4885NPC1 761/4885

“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.