SCHEMBL4923259

SCHEMBL4923259

COC(=O)[C@@H]1CC[C@H]1C(=O)c1ccc(-c2ccc(N)c(F)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 11/20 0.42
HSD17B1 P14061 10/20 0.42
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CTSC P53634 3/20 0.37
CTSK P43235 2/20 0.37
HDAC3 O15379 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
IKBKB O14920 1/20 0.36

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
SCHEMBL4916205 0.81 CYP17A1 (0.44) HSD17B2HSD17B1ERCC5FEN1CTSC
SCHEMBL4916202 0.81 CYP17A1 (0.44) HSD17B2HSD17B1ERCC5FEN1CTSC
SCHEMBL6031891 0.76 DGAT1 (0.51) HDAC1HDAC2HDAC3
SCHEMBL1748196 0.76 DGAT1 (0.51) HDAC1HDAC2HDAC3
SCHEMBL1748016 0.76 DGAT1 (0.51) HDAC1HDAC2HDAC3
SCHEMBL4923255 0.75 HSD17B1 (0.39) HSD17B2HSD17B1ERCC5FEN1HDAC1
SCHEMBL4920884 0.72 PDE4A (0.41) HSD17B2HSD17B1FEN1
SCHEMBL4920876 0.72 PDE4A (0.41) HSD17B2HSD17B1FEN1
SCHEMBL4922146 0.70 HPGD (0.47) KDM4EALDH1A1HPGD
SCHEMBL4922141 0.70 HPGD (0.47) KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064717-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES 2008-03-13 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-20080064717-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme DGAT1, DGAT2, DLAT HSD17B2 1356/4885HSD17B1 486/4885ERCC5 4855/4885

“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.