SCHEMBL162644

SCHEMBL162644

CC(C)(CCc1ncc(-c2ccc(NC(=O)Nc3cc(F)c(F)cc3F)cc2)s1)C(=O)NS(=O)(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.47
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NTRK1 P04629 3/20 0.36
IDH1 O75874 1/20 0.36
KDR P35968 6/20 0.34
PDGFRB P09619 4/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
KIT P10721 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
FLT4 P35916 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL162367 0.90 DGAT1 (0.47) DGAT1CA12CA1CA2CA9
SCHEMBL162304 0.89 DGAT1 (0.45) DGAT1NTRK1KDRKITRIPK1
SCHEMBL162252 0.86 DGAT1 (0.48) DGAT1NTRK1IDH1KDRKIT
SCHEMBL158731 0.86 DGAT1 (0.54) DGAT1CA12CA1CA2CA9
SCHEMBL15022135 0.85 DGAT1 (0.53) DGAT1CA12CA1CA2CA9
SCHEMBL159242 0.85 DGAT1 (0.51) DGAT1CA12CA1CA2CA9
SCHEMBL15022044 0.83 DGAT1 (0.52) DGAT1CA12CA1CA2CA9
SCHEMBL161575 0.81 LOXL2 (0.36)
SCHEMBL163752 0.79 DGAT1 (0.58) DGAT1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL163660 0.78 DGAT1 (0.57) DGAT1CA12CA1CA2CA9

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 1/4885CA12 4307/4885CA1 3328/4885

“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.