SCHEMBL893301

SCHEMBL893301

CC(Nc1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 17/20 0.54
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA2B P29275 1/20 0.40

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
SCHEMBL10201915 1.00 TRPA1 (0.54) TRPA1ALDH1A1LMNAGLAPKM
SCHEMBL10201916 1.00 TRPA1 (0.54) TRPA1ALDH1A1LMNAGLAPKM
SCHEMBL893871 0.90 TRPA1 (0.53) TRPA1ALDH1A1LMNAGLAPKM
SCHEMBL894191 0.88 TRPA1 (0.58) TRPA1ALDH1A1
SCHEMBL892988 0.88 TRPA1 (0.61) TRPA1ALDH1A1LMNAGLAPKM
SCHEMBL893837 0.87 TRPA1 (0.57) TRPA1
SCHEMBL893316 0.84 TRPA1 (0.54) TRPA1ALDH1A1
SCHEMBL894583 0.83 TRPA1 (0.57) TRPA1
SCHEMBL894120 0.83 TRPA1 (0.55) TRPA1ALDH1A1
SCHEMBL893843 0.82 TRPA1 (0.56) TRPA1ALDH1A1

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 1/4885ALDH1A1 1469/4885LMNA 4619/4885

“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.