SCHEMBL162482

SCHEMBL162482

COC(=O)C(C)(C)Cc1ncc(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
MAPK14 Q16539 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CLK1 P49759 1/20 0.41
GFER P55789 1/20 0.41
KDR P35968 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 5/20 0.40
STAT3 P40763 1/20 0.40
PKM P14618 1/20 0.39
XBP1 P17861 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
FLT3 P36888 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
SCHEMBL158346 0.90 CCNB2 (0.46) MAPK14RAB9ANPC1CLK1GFER
SCHEMBL161351 0.90 EPHX2 (0.47) EPHX2MAPK14RAB9ANPC1CLK1
SCHEMBL161470 0.88 HDAC1 (0.49) RAB9ANPC1CLK1GFERKDR
SCHEMBL162967 0.84 TRPV1 (0.47) LMNAMAPTSMN1; SMN2
SCHEMBL162141 0.82 MEN1 (0.45) EPHX2RAB9ANPC1CLK1GFER
SCHEMBL160687 0.82 NPC1 (0.48) RAB9ANPC1CLK1GFERLMNA
SCHEMBL161259 0.80 RXRA (0.44) RAB9ANPC1CLK1GFERMEN1
SCHEMBL163218 0.79 HDAC1 (0.49) RAB9ANPC1CLK1GFERKDR
SCHEMBL161215 0.79 CCNE2 (0.48) MAPK14RAB9ANPC1CLK1GFER
SCHEMBL162274 0.78 DGAT1 (0.45) EPHX2MAPK14NPC1KDRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 EPHX2 712/4885MAPK14 2261/4885RAB9A 1781/4885

“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.