SCHEMBL164633

SCHEMBL164633

O=C(Nc1ccc(-c2cnc(CNS(=O)(=O)C(F)(F)F)s2)cc1)Nc1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.50
RIPK1 Q13546 2/20 0.41
MTOR P42345 1/20 0.39
PLK4 O00444 1/20 0.38
KDR P35968 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KIT P10721 1/20 0.38
IDH2 P48735 1/20 0.38
CNR1 P21554 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL15022027 0.91 DGAT1 (0.42) DGAT1RIPK1MTORKDRCNR1
SCHEMBL161990 0.90 DGAT1 (0.51) DGAT1RIPK1MTORPLK4KDR
SCHEMBL15021930 0.89 DGAT1 (0.47) DGAT1MEN1LMNAMAPTHTT
SCHEMBL15021989 0.89 EPHX2 (0.47) DGAT1MTORKDRMAPTNAMPT
SCHEMBL15022044 0.87 DGAT1 (0.52) DGAT1RIPK1PLK4KDRKIT
SCHEMBL15022841 0.85 DGAT1 (0.52) DGAT1PLK4KDRMEN1MAPT
SCHEMBL161504 0.85 DGAT1 (0.52) DGAT1KDRMEN1LMNAMAPT
SCHEMBL15022041 0.82 DGAT1 (0.43) DGAT1KDRCNR1
SCHEMBL162304 0.82 DGAT1 (0.45) DGAT1RIPK1PLK4KDRMEN1
SCHEMBL15022046 0.82 EPHX1 (0.46) MEN1KMT2ASMN1; SMN2

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 1/4885RIPK1 3390/4885MTOR 996/4885

“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.