SCHEMBL894132

SCHEMBL894132

NS(=O)(=O)c1ccc(CCNc2nc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 13/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL10203362 0.94 TRPA1 (0.52) TRPA1ALDH1A1MAPK1NPSR1ATM
SCHEMBL894096 0.92 TRPA1 (0.62) TRPA1ALDH1A1MAPK1NPSR1
SCHEMBL894402 0.89 TRPA1 (0.56) TRPA1ATMTSHRMAPTTDP1
SCHEMBL893502 0.87 TRPA1 (0.54) TRPA1ATMTSHRMAPTTDP1
SCHEMBL893917 0.87 TRPA1 (0.53) TRPA1ALDH1A1ATMTSHRPOLB
SCHEMBL894804 0.86 TRPA1 (0.51) TRPA1ATMTSHRMAPTTDP1
SCHEMBL894827 0.85 TRPA1 (0.55) TRPA1ATMTSHRMAPTTDP1
SCHEMBL894376 0.85 TRPA1 (0.52) TRPA1MAPK1ATMTSHRMAPT
SCHEMBL894348 0.85 TRPA1 (0.58) TRPA1ATMTSHRMAPTTDP1
SCHEMBL893480 0.84 TRPA1 (0.57) TRPA1ATMTSHRMAPTTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 TRPA1 1/4885ALDH1A1 1469/4885MAPK1 1950/4885

“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.