SCHEMBL894890

SCHEMBL894890

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3cccnc3)CC2)c1)[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.39
HIF1A Q16665 5/20 0.39
EPAS1 Q99814 5/20 0.39
SRPK1 Q96SB4 2/20 0.38
NAMPT P43490 3/20 0.37
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL893153 0.94 TRPA1 (0.41) TRPA1HIF1AEPAS1SRPK1
SCHEMBL893631 0.94 TRPA1 (0.41) TRPA1SMN1; SMN2
SCHEMBL894375 0.90 TRPA1 (0.47) TRPA1HIF1AEPAS1SRPK1KDM4E
SCHEMBL894126 0.89 TRPA1 (0.41) TRPA1SRPK1SMN1; SMN2
SCHEMBL894637 0.89 TSHR (0.48) TRPA1TSHR
SCHEMBL894266 0.88 TRPA1 (0.44) TRPA1
SCHEMBL10202210 0.87 TRPA1 (0.41) TRPA1NAMPTKDM4ETSHRMAPT
SCHEMBL10164614 0.87 TRPA1 (0.37) TRPA1POLBMAPTSMN1; SMN2
SCHEMBL894189 0.87 HIF1A (0.40) TRPA1HIF1AEPAS1SRPK1NAMPT
SCHEMBL10164606 0.86 LMNA (0.40) TRPA1SMN1; SMN2

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-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
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 1/4885HIF1A 1598/4885EPAS1 610/4885

“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.