SCHEMBL12358702

SCHEMBL12358702

CS(=O)(=O)Nc1ccccc1-c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.54
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPY5R Q15761 1/20 0.48
PDPK1 O15530 1/20 0.46
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
DGAT1 O75907 1/20 0.44
KCNH2 Q12809 1/20 0.44
PIN1 Q13526 1/20 0.43
BRD4 O60885 1/20 0.43
NPBWR1 P48145 1/20 0.43
KIT P10721 2/20 0.42
PARP1 P09874 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
SCHEMBL12363945 0.90 CYP1A2 (0.46) TRPV1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12359118 0.85 TRPV1 (0.52) TRPV1ALOX5APFEN1BRD4NPBWR1
SCHEMBL2243222 0.83 TRPV1 (0.51) TRPV1ALOX5APFEN1BRD4
SCHEMBL12358865 0.82 TRPV1 (0.48) TRPV1ALOX5APFEN1BRD4
SCHEMBL1798580 0.82 TRPV1 (0.72) TRPV1
SCHEMBL1797635 0.82 TRPV1 (0.51) TRPV1ALOX5APFEN1BRD4
SCHEMBL1798582 0.82 TRPV1 (0.72) TRPV1
SCHEMBL12359264 0.82 TRPV1 (0.65) TRPV1ALOX5APFEN1BRD4
SCHEMBL12359106 0.81 TRPV1 (0.60) TRPV1ALOX5APFEN1BRD4
SCHEMBL12358693 0.81 SCD (0.53) TRPV1NPBWR1

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
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 US 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 (3 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885CYP1A2 487/4885CYP3A4 73/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 TRPV1 29/4885CYP1A2 487/4885CYP3A4 73/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885CYP1A2 487/4885CYP3A4 73/4885

“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.