SCHEMBL893764

SCHEMBL893764

Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.62
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
PKM P14618 1/20 0.49
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
HCRTR1 O43613 1/20 0.48

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
SCHEMBL894037 0.91 TRPA1 (0.63) TRPA1HCRTR1
SCHEMBL894156 0.91 TRPA1 (0.65) TRPA1
SCHEMBL893611 0.89 TRPA1 (0.72) TRPA1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL893970 0.88 TRPA1 (0.79) TRPA1
SCHEMBL894186 0.87 TRPA1 (0.73) TRPA1
SCHEMBL894151 0.87 TRPA1 (0.65) TRPA1
SCHEMBL894190 0.85 TRPA1 (0.68) TRPA1
SCHEMBL893390 0.85 TRPA1 (0.66) TRPA1
SCHEMBL894038 0.85 TRPA1 (0.61) TRPA1
SCHEMBL893466 0.85 TRPA1 (0.85) 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 4 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
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 1/4885LMNA 4619/4885HTT 158/4885

“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.