SCHEMBL161575

SCHEMBL161575

CC(C)(CCc1ncc(-c2ccc(N)cc2)s1)C(=O)NS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.36
PI4KB Q9UBF8 5/20 0.35
CYP3A4 P08684 4/20 0.35
PIK3C2A O00443 2/20 0.35
PIK3C2B O00750 2/20 0.35
STK17A Q9UEE5 2/20 0.35
RPS6KA4 O75676 1/20 0.35
ELANE P08246 1/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
SYK P43405 1/20 0.33
PIK3CD O00329 1/20 0.32
DYRK3 O43781 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK9 P50750 1/20 0.32
MAP4K2 Q12851 1/20 0.32
GCK P35557 1/20 0.32
GCKR Q14397 1/20 0.32
CSNK2A1 P68400 1/20 0.32
LOXL3 P58215 1/20 0.31

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
SCHEMBL162302 0.86 ALDH1A1 (0.41) ERCC5FEN1CSNK2A1
SCHEMBL162304 0.82 DGAT1 (0.45)
SCHEMBL162367 0.81 DGAT1 (0.47)
SCHEMBL162644 0.81 DGAT1 (0.47)
SCHEMBL162252 0.80 DGAT1 (0.48) CYP3A4
SCHEMBL160848 0.79 ERCC5 (0.38) LOXL2PI4KBCYP3A4ERCC5FEN1
SCHEMBL164176 0.78 CA2 (0.41) LOXL2ELANEERCC5FEN1SYK
SCHEMBL15022008 0.76 LOXL2 (0.41) LOXL2CYP3A4ERCC5FEN1SYK
SCHEMBL164309 0.71 ERCC5 (0.40) LOXL2PI4KBCYP3A4ERCC5FEN1
SCHEMBL15021976 0.70 GCK (0.35) LOXL2CYP3A4ELANEFEN1GCK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN disclosed
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 LOXL2 3132/4885PI4KB 2055/4885CYP3A4 1000/4885

“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.