SCHEMBL159242

SCHEMBL159242

COC(=O)C(C)(C)CCc1ncc(-c2ccc(NC(=O)Nc3cc(F)c(F)cc3F)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.51
NTRK1 P04629 1/20 0.41
KDR P35968 5/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 5/20 0.38
PDGFRB P09619 4/20 0.38
TP53 P04637 1/20 0.38
MAPK14 Q16539 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 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
SCHEMBL159998 0.91 DGAT1 (0.52) DGAT1NTRK1KDRCA12CA1
SCHEMBL158731 0.91 DGAT1 (0.54) DGAT1NTRK1KDRCA12CA1
SCHEMBL161621 0.89 DGAT1 (0.51) DGAT1KDRMAPTPDGFRBNPC1
SCHEMBL160328 0.89 DGAT1 (0.40) DGAT1NTRK1KDRMAPTTP53
SCHEMBL164809 0.89 MAPT (0.42) DGAT1NTRK1KDRMAPTTP53
SCHEMBL160684 0.88 DGAT1 (0.49) DGAT1NTRK1KDRMAPTTP53
SCHEMBL161205 0.85 MAPT (0.46) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL162644 0.85 DGAT1 (0.47) DGAT1NTRK1KDRCA12CA1
SCHEMBL162879 0.84 RAB9A (0.44) DGAT1NTRK1CA12CA1CA2
SCHEMBL161882 0.84 DGAT1 (0.53) DGAT1KDRMAPTTP53NPC1

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 DGAT1 1/4885NTRK1 4473/4885KDR 4203/4885

“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.