SCHEMBL12468546

SCHEMBL12468546

CN(C)C(=O)c1cccc(-c2ccc(O)c(C(F)(F)F)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.45
HSD17B2 P37059 6/20 0.45
HSD17B14 Q9BPX1 9/20 0.44
ERN1 O75460 3/20 0.44
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SCN9A Q15858 1/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL17788165 0.77 HSD17B1 (0.52) HSD17B1HSD17B2HSD17B14
SCHEMBL15849717 0.77 HSD17B14 (0.57) HSD17B1HSD17B2HSD17B14CNR2
SCHEMBL12468458 0.77 ALDH1A1 (0.56) HSD17B1HSD17B2HSD17B14
SCHEMBL15849592 0.74 CTSA (0.45) HSD17B1HSD17B2HSD17B14CNR1
SCHEMBL16385241 0.74 HSD17B1 (0.49) HSD17B1HSD17B2
SCHEMBL15849615 0.73 MEN1 (0.50) HSD17B14CNR2CNR1
SCHEMBL16731618 0.72 SCN9A (0.53) SCN9A
SCHEMBL12467631 0.71 CNR2 (0.54) HSD17B2CNR2
SCHEMBL14152091 0.71 KMO (0.64) HSD17B1HSD17B2HSD17B14ERN1CNR2
SCHEMBL9966066 0.69 RAB9A (0.56)

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-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN HSD17B1 806/4885HSD17B2 1504/4885HSD17B14 533/4885

“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.