SCHEMBL160957

SCHEMBL160957

O=C(Nc1ccc(-c2cnc(CCNS(=O)(=O)C(F)(F)F)s2)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
PTPN1 P18031 5/20 0.44
PTPN2 P17706 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DGAT1 O75907 4/20 0.42
SCD O00767 1/20 0.42
GRIA4 P48058 1/20 0.41
PTPN11 Q06124 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL162613 0.92 TRPV1 (0.47) TRPV1NPC1RAB9ADGAT1
SCHEMBL15021905 0.91 DGAT1 (0.48) KDRNPC1RAB9ADGAT1
SCHEMBL159352 0.88 SMO (0.44)
SCHEMBL15022122 0.86 EPHX2 (0.44) KDRDGAT1
SCHEMBL15021932 0.84 DGAT1 (0.53) KDRNPC1RAB9ADGAT1
SCHEMBL161603 0.84 DGAT1 (0.61) DGAT1
SCHEMBL162327 0.83 DGAT1 (0.53) KDRNPC1RAB9ADGAT1
SCHEMBL163198 0.83 TRPV1 (0.50) TRPV1NPC1RAB9ADGAT1
SCHEMBL161990 0.82 DGAT1 (0.51) KDRDGAT1
SCHEMBL164571 0.82 PTPN1 (0.47) PTPN1PTPN2NPC1RAB9ADGAT1

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 KDR 4203/4885PTPN1 2557/4885PTPN2 3044/4885

“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.