SCHEMBL217242

SCHEMBL217242

Cc1cc(CCC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc(C)c1OOC(=O)C(C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
PPARD Q03181 8/20 0.34
PPARA Q07869 8/20 0.34
PPARG P37231 6/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
FFAR1 O14842 2/20 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
SCHEMBL16774833 0.87 S1PR1 (0.39) MAPK11MAPK14ERCC5FEN1HSD17B1
SCHEMBL217585 0.83 PPARA (0.50) PPARDPPARAPPARG
SCHEMBL217239 0.83 PPARD (0.40) MAPK11MAPK14ERCC5FEN1PPARD
SCHEMBL218708 0.82 MAPK11 (0.43) MAPK11MAPK14ERCC5FEN1HSD17B1
SCHEMBL217240 0.80 PPARA (0.40) MAPK11MAPK14ERCC5FEN1PPARD
SCHEMBL217241 0.79 PPARA (0.38) MAPK11MAPK14ERCC5FEN1HSD17B2
SCHEMBL217914 0.78 HSD17B1 (0.47) MAPK11MAPK14HSD17B1HSD17B2KDM4E
SCHEMBL217526 0.76 PPARA (0.51) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL217084 0.76 PPARD (0.42) MAPK11MAPK14PPARDPPARAPPARG
SCHEMBL216704 0.73 KIF11 (0.44) ERCC5FEN1HSD17B1HSD17B2HDAC6

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-8088819-B2 Derivatives of substituted 3-phenyl-1-(phenylthienyl)propan-1-ones and of 3-phenyl-1-(phenylfuranyl) propan-1-ones, preparation and use GENFIT (FR) 2012-01-03 US disclosed
US-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE GENFIT (FR) 2010-02-04 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-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE TPP1, NAT1, PGC MAPK11 3023/4885MAPK14 3807/4885ERCC5 3520/4885

“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.