SCHEMBL163630

SCHEMBL163630

O=S(=O)(Nc1ccc(-c2cnc(CNS(=O)(=O)C(F)(F)F)s2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
PPARA Q07869 2/20 0.44
AR P10275 1/20 0.44
PTPN1 P18031 3/20 0.44
HSPD1 P10809 2/20 0.44
PTPN2 P17706 2/20 0.44
PTPN5 P54829 2/20 0.44
HSPE1 P61604 2/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
KIT P10721 2/20 0.43
SCN3A Q9NY46 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LMNA P02545 1/20 0.42
P2RY1 P47900 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL161137 0.91 NR1H3 (0.44) ARCA1CA2KITERAP1
SCHEMBL15021989 0.84 EPHX2 (0.47) PPARACA1CA2P2RY1HDAC1
SCHEMBL163198 0.82 TRPV1 (0.50) TRPV1PPARA
SCHEMBL163863 0.80 RORC (0.45)
SCHEMBL15022008 0.79 LOXL2 (0.41) PPARACA1CA2HDAC1HDAC6
SCHEMBL163234 0.78 MAP2K4 (0.40) KIT
SCHEMBL15022047 0.77 XDH (0.45) CA1CA2LMNACYP19A1
SCHEMBL15021930 0.76 DGAT1 (0.47) LMNA
SCHEMBL15022122 0.76 EPHX2 (0.44) PPARACA1CA2P2RY1HDAC1
SCHEMBL178117 0.74 EPHX2 (0.45) CA1CA2P2RY1HDAC1HDAC6

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 TRPV1 2426/4885PPARA 349/4885AR 3225/4885

“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.