SCHEMBL161537

SCHEMBL161537

CC(C)(NS(=O)(=O)C(F)(F)F)c1ncc(-c2ccc(NC(=O)NC3CCCCC3)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX1 P07099 8/20 0.47
EPHX2 P34913 4/20 0.47
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL15022046 0.81 EPHX1 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19EPHX1
SCHEMBL162001 0.81 DGAT1 (0.47) RAB9A
SCHEMBL15022218 0.80 EPHX1 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19EPHX1
SCHEMBL15022039 0.79 DGAT1 (0.49) CA12CA1CA2CA9
SCHEMBL15021988 0.79 DGAT1 (0.49) POLBSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL15022048 0.79 DGAT1 (0.40) CA12CA1CA2CA9
SCHEMBL160383 0.78 DGAT1 (0.53) CYP3A4EPHX2POLBNPC1RAB9A
SCHEMBL15021976 0.75 GCK (0.35) CYP3A4CA12CA1CA2CA9
SCHEMBL163195 0.74 EPHX1 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19EPHX1
SCHEMBL162878 0.73 EPHX1 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19EPHX1

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 CYP3A4 1000/4885CYP2D6 398/4885CYP2C9 789/4885

“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.