SCHEMBL893388

SCHEMBL893388

NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.50
CASP5 P51878 2/20 0.50
CASP4 P49662 1/20 0.50
HSD17B10 Q99714 4/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
LTA4H P09960 1/20 0.41
HPGD P15428 2/20 0.41
RPS6KB1 P23443 1/20 0.41
AKT1 P31749 1/20 0.41
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
GALR2 O43603 1/20 0.39
MCHR1 Q99705 3/20 0.39

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
SCHEMBL3717904 0.99 CASP1 (0.49) CASP1CASP5CASP4HSD17B10LMNA
SCHEMBL16013548 0.89 PIK3CA (0.48) HSD17B10LMNATSHRMAPK1KDM4E
SCHEMBL16012936 0.85 HRH3 (0.46) CASP1CASP5CASP4RPS6KB1AKT1
SCHEMBL16012907 0.84 CASP1 (0.43) CASP1CASP5CASP4RPS6KB1AKT1
SCHEMBL10163853 0.83 KMT2A (0.49) HSD17B10LMNAUSP2TSHRHTT
SCHEMBL16005109 0.82 LTA4H (0.49) CASP1LTA4HNPBWR1
SCHEMBL20254165 0.78 AKT2 (0.48) CASP1CASP5CASP4LMNALTA4H
SCHEMBL3727146 0.78 PRKD1 (0.56) CASP1CASP5CASP4HSD17B10LMNA
Hydrochloric Acid SCHEMBL20210908 0.77 AKT2 (0.47) CASP1CASP5CASP4LMNALTA4H
SCHEMBL28824391 0.77 LMNA (0.46) CASP1CASP5CASP4HSD17B10LMNA

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 12 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
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-9409864-B2 Sulfonamide TRPA1 receptor antagonists ARIO PHARMA LIMITED (GB) 2016-08-09 US disclosed
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists ARIO PHARMA LIMITED (GB) 2016-01-28 US disclosed
EP-2964615-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS Ario Pharma Limited (GB) 2016-01-13 EP disclosed
WO-2014135617-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. IN LIQUIDATION (IT) 2014-09-12 WO disclosed
EP-2774919-A1 Novel sulfonamide TRPA1 receptor antagonists PHARMESTE S.R.L. IN LIQUIDAZIONE (IT) 2014-09-10 EP disclosed
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
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
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 (2 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-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 CASP1 744/4885CASP5 1708/4885CASP4 2248/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 CASP1 359/4885CASP5 1420/4885CASP4 1249/4885

“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.