SCHEMBL894296

SCHEMBL894296

C[C@@H](Nc1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc(-c2ccc(Br)cc2)n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.52
ATM Q13315 1/20 0.50
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
POLB P06746 1/20 0.43
KCNQ1 P51787 1/20 0.43
FKBP1A P62942 1/20 0.43

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
SCHEMBL10201938 1.00 TRPA1 (0.52) TRPA1ATMMAPTTDP1TSHR
SCHEMBL893213 0.92 TRPA1 (0.62) TRPA1ATMKCNQ1
SCHEMBL10202125 0.89 MAPT (0.51) TRPA1ATMMAPTTDP1TSHR
SCHEMBL10202100 0.87 TRPA1 (0.51) TRPA1ATMMAPTTDP1TSHR
SCHEMBL893857 0.87 TRPA1 (0.51) TRPA1ATMMAPTTDP1TSHR
SCHEMBL894348 0.85 TRPA1 (0.58) TRPA1ATMMAPTTDP1TSHR
SCHEMBL893480 0.85 TRPA1 (0.57) TRPA1ATMMAPTTDP1TSHR
SCHEMBL894827 0.84 TRPA1 (0.55) TRPA1ATMMAPTTDP1TSHR
SCHEMBL894402 0.84 TRPA1 (0.56) TRPA1ATMMAPTTDP1TSHR
SCHEMBL892988 0.84 TRPA1 (0.61) TRPA1ATM

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 1 patent. 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

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 1/4885ATM 2689/4885MAPT 1004/4885

“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.