SCHEMBL164176

SCHEMBL164176

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.41
CA1 P00915 5/20 0.41
LOXL2 Q9Y4K0 3/20 0.39
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY5R Q15761 1/20 0.34
FEN1 P39748 2/20 0.33
ALOX5AP P20292 1/20 0.33
ERCC5 P28715 1/20 0.33
LOXL3 P58215 1/20 0.33
SYK P43405 1/20 0.33
ELANE P08246 1/20 0.32
IDO1 P14902 1/20 0.32
QPCT Q16769 1/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
CSNK2A1 P68400 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL15022008 0.88 LOXL2 (0.41) CA2CA1LOXL2MEN1HTT
SCHEMBL15022887 0.84 XDH (0.44) CA2CA1LOXL2MEN1KMT2A
SCHEMBL15021905 0.80 DGAT1 (0.48) FEN1ERCC5
SCHEMBL15022122 0.80 EPHX2 (0.44) CA2CA1MEN1KMT2ACA12
SCHEMBL160957 0.80 KDR (0.45)
SCHEMBL161575 0.78 LOXL2 (0.36) LOXL2FEN1ERCC5LOXL3SYK
SCHEMBL161990 0.78 DGAT1 (0.51) MEN1HTTKMT2A
SCHEMBL162613 0.78 TRPV1 (0.47) MEN1KMT2A
SCHEMBL164571 0.77 PTPN1 (0.47) MEN1KMT2A
SCHEMBL159352 0.76 SMO (0.44) MEN1KMT2A

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 3 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 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 CA2 2982/4885CA1 3328/4885LOXL2 3132/4885

“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.