SCHEMBL162160

SCHEMBL162160

O=C(Nc1ccc(-c2cnc(C3CCN(S(=O)(=O)C(F)(F)F)CC3)s2)cc1)Nc1c(F)cc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.42
TRPV1 Q8NER1 1/20 0.37
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
CTSC P53634 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MLYCD O95822 2/20 0.35
NPY5R Q15761 1/20 0.35
EPHX2 P34913 2/20 0.34
HTR3A P46098 1/20 0.34
CNR1 P21554 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
SCHEMBL158428 0.90 DGAT1 (0.53) DGAT1CA12CA1CA2CA9
SCHEMBL160969 0.90 NPY5R (0.45) DGAT1AURKAKDRFLT3NPY5R
SCHEMBL163197 0.88 DGAT1 (0.52) DGAT1TRPV1AURKAKDRFLT3
SCHEMBL164736 0.86 DGAT1 (0.52) DGAT1TRPV1KDRFLT3CA12
SCHEMBL28806672 0.84 KIF11 (0.41) TRPV1MLYCDCNR1
SCHEMBL162248 0.84 DGAT1 (0.45) DGAT1TRPV1AURKAKDRFLT3
SCHEMBL159576 0.83 DGAT1 (0.45) DGAT1TRPV1AURKAKDRFLT3
SCHEMBL163324 0.82 DGAT1 (0.52) DGAT1TRPV1KDRCNR1
SCHEMBL161055 0.82 DGAT1 (0.45) DGAT1TRPV1AURKAKDRFLT3
SCHEMBL160846 0.82 PTPN2 (0.46) DGAT1

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 5 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
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 1/4885TRPV1 2426/4885AURKA 4442/4885

“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.