SCHEMBL893330

SCHEMBL893330

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccncc3)CC2)c1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.39
SRPK1 Q96SB4 3/20 0.37
HIF1A Q16665 2/20 0.36
EPAS1 Q99814 2/20 0.36
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
SLC2A1 P11166 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CHRM4 P08173 1/20 0.34
ALK Q9UM73 1/20 0.33
PRKCI P41743 1/20 0.33

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
SCHEMBL893849 0.95 LMNA (0.40) TRPA1SRPK1LMNACHRM4
SCHEMBL894189 0.94 HIF1A (0.40) TRPA1SRPK1HIF1AEPAS1CHRM4
SCHEMBL894255 0.91 TRPA1 (0.39) TRPA1SRPK1
SCHEMBL894238 0.90 TRPA1 (0.42) TRPA1ALDH1A1LMNA
SCHEMBL894094 0.88 TRPA1 (0.51) TRPA1SRPK1ALDH1A1
SCHEMBL894366 0.88 TRPA1 (0.45) TRPA1
SCHEMBL893746 0.88 TRPA1 (0.39) TRPA1ALDH1A1
SCHEMBL894607 0.87 TRPA1 (0.40) TRPA1
SCHEMBL10164586 0.86 LMNA (0.41) TRPA1ALDH1A1LMNACHRM4
SCHEMBL893153 0.86 TRPA1 (0.41) TRPA1SRPK1HIF1AEPAS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 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 1/4885SRPK1 4543/4885HIF1A 1598/4885

“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.