SCHEMBL893805

SCHEMBL893805

O=C(NCc1cccc(-c2ccc(C(F)(F)F)cc2)c1)[C@@H]1[C@H]2C[C@H]2CN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 12/20 0.46
CHRM3 P20309 1/20 0.40
CFD P00746 2/20 0.39
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.37
CCR1 P32246 1/20 0.37

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
SCHEMBL894184 0.84 TRPA1 (0.63) TRPA1
SCHEMBL893949 0.83 TRPA1 (0.47) TRPA1CHRM3CFDCCR1
SCHEMBL893649 0.83 TRPA1 (0.43) TRPA1CHRM3CFDEPHX2LMNA
SCHEMBL17136512 0.74 TRPA1 (0.54) TRPA1EPHX2ALDH1A1
SCHEMBL13044948 0.74 TACR1 (0.44) TRPA1CHRM3CFDATM
SCHEMBL17136509 0.73 TRPA1 (0.59) TRPA1ALDH1A1
SCHEMBL17199902 0.73 TRPA1 (0.58) TRPA1ALDH1A1
SCHEMBL17199887 0.72 TRPA1 (0.56) TRPA1ALDH1A1
SCHEMBL892880 0.72 TRPA1 (0.57) TRPA1ALDH1A1
SCHEMBL892725 0.71 TRPA1 (0.58) TRPA1ALDH1A1LMNA

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 1/4885CHRM3 279/4885CFD 3548/4885

“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.