SCHEMBL162546

SCHEMBL162546

COC(=O)C12CC3CC(C1)CC(c1ncc(-c4ccc(NC(=O)Nc5cc(F)c(F)cc5F)cc4)s1)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.49
EPHX2 P34913 1/20 0.39
NTRK1 P04629 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.36
KMT2A Q03164 1/20 0.35
KDR P35968 5/20 0.35
PDGFRB P09619 3/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
IKBKB O14920 2/20 0.35
RARA P10276 2/20 0.35
AURKA O14965 1/20 0.34
FLT3 P36888 1/20 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
SCHEMBL175829 0.92 DGAT1 (0.50) DGAT1EPHX2NTRK1CA12CA1
SCHEMBL161700 0.91 DGAT1 (0.53) DGAT1EPHX2NTRK1CA12CA1
SCHEMBL162102 0.90 EPHX2 (0.52) DGAT1EPHX2CA12CA1CA2
SCHEMBL161985 0.89 EPHX2 (0.41) DGAT1EPHX2NTRK1CA12CA1
SCHEMBL161816 0.89 DGAT1 (0.47) DGAT1EPHX2NTRK1LMNASMN1; SMN2
SCHEMBL175824 0.88 EPHX2 (0.40) DGAT1EPHX2CA12CA1CA2
SCHEMBL161249 0.85 DGAT1 (0.49) DGAT1EPHX2LMNACNR1KMT2A
SCHEMBL161801 0.84 DGAT1 (0.50) DGAT1EPHX2LMNASMN1; SMN2KMT2A
SCHEMBL161219 0.83 DGAT1 (0.54) DGAT1EPHX2CA12CA1CA2
SCHEMBL164213 0.81 EPHX2 (0.54) DGAT1EPHX2SMN1; SMN2CNR1KMT2A

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 1/4885EPHX2 712/4885NTRK1 4473/4885

“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.