SCHEMBL161532

SCHEMBL161532

N#CN=C(Nc1ccc(-c2cnc(CCNS(=O)(=O)C(F)(F)F)s2)cc1)Nc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.40
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
GRIA4 P48058 1/20 0.32
ESR1 P03372 1/20 0.31
ESRRG P62508 1/20 0.31
KDR P35968 1/20 0.30
TEK Q02763 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL176232 1.00 DGAT1 (0.40) DGAT1ALOX5APFEN1PIK3CDPIK3R1
SCHEMBL15022160 0.89 DGAT1 (0.41) DGAT1ALOX5APFEN1PIK3CDPIK3R1
SCHEMBL15022157 0.89 DGAT1 (0.41) DGAT1ALOX5APFEN1PIK3CDPIK3R1
SCHEMBL15021932 0.86 DGAT1 (0.53) DGAT1KDRTEKSMN1; SMN2CA12
SCHEMBL15021868 0.85 DGAT1 (0.44) DGAT1ALOX5APFEN1GRIA4ESR1
SCHEMBL15021973 0.85 DGAT1 (0.42) DGAT1ALOX5APFEN1GRIA4SMN1; SMN2
SCHEMBL161031 0.81 DGAT1 (0.42) DGAT1FEN1PIK3CDPIK3R1PIK3CA
SCHEMBL161580 0.80 DGAT1 (0.39) DGAT1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL161581 0.80 DGAT1 (0.39) DGAT1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15021905 0.79 DGAT1 (0.48) DGAT1FEN1KDR

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 DGAT1 1/4885ALOX5AP 545/4885FEN1 3792/4885

“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.