SCHEMBL893674

SCHEMBL893674

Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NCc2cc(-c3ccc(C(F)(F)F)cc3)nc(N3CCN(c4ccccc4F)CC3)n2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 16/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10203387 1.00 TRPA1 (0.44) TRPA1L3MBTL1EPHX2MEN1LMNA
SCHEMBL894023 0.91 TRPA1 (0.45) TRPA1L3MBTL1LMNA
SCHEMBL894084 0.91 TRPA1 (0.43) TRPA1L3MBTL1KMT2A
SCHEMBL893584 0.91 L3MBTL1 (0.44) TRPA1L3MBTL1MEN1LMNAKMT2A
SCHEMBL893212 0.90 TRPA1 (0.47) TRPA1L3MBTL1MEN1LMNAKMT2A
SCHEMBL893650 0.90 POLB (0.48) TRPA1LMNA
SCHEMBL894049 0.90 TRPA1 (0.51) TRPA1L3MBTL1LMNA
SCHEMBL10203377 0.90 TRPA1 (0.47) TRPA1
SCHEMBL893812 0.90 TRPA1 (0.48) TRPA1L3MBTL1LMNA
SCHEMBL894334 0.90 TRPA1 (0.47) TRPA1

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 2 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 claimed
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 1/4885L3MBTL1 3677/4885EPHX2 932/4885

“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.