SCHEMBL16005299

SCHEMBL16005299

N#Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.61
CTSS P25774 2/20 0.55
CTSK P43235 1/20 0.55
DGAT1 O75907 1/20 0.47
SOAT1 P35610 1/20 0.47
KCNH2 Q12809 1/20 0.47
XDH P47989 1/20 0.46
TOP1 P11387 2/20 0.44
ADORA3 P0DMS8 1/20 0.42
PSD A5PKW4 1/20 0.41
P2RY14 Q15391 1/20 0.41
RXRA P19793 1/20 0.41
RXRG P48443 1/20 0.41
GSR P00390 1/20 0.41
RAD51 Q06609 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
KIT P10721 1/20 0.39
ADORA1 P30542 1/20 0.39
MYC P01106 1/20 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
SCHEMBL16013728 0.89 KIF11 (0.53) KIF11CTSSCTSKDGAT1SOAT1
SCHEMBL16013131 0.85 CTSS (0.49) KIF11CTSSCTSKDGAT1SOAT1
SCHEMBL16013006 0.82 CTSS (0.46) KIF11CTSSCTSKDGAT1SOAT1
SCHEMBL17456814 0.82 CTSS (0.52) KIF11CTSSCTSKTOP1
SCHEMBL893459 0.82 HRH4 (0.45) KIF11CTSSCTSK
SCHEMBL893514 0.81 KIF11 (0.56) KIF11CTSSCTSKDGAT1SOAT1
SCHEMBL3562576 0.79 CTSS (0.52) KIF11CTSSCTSKDGAT1SOAT1
SCHEMBL8552758 0.79 KIF11 (0.42) KIF11CTSSCTSKKCNH2
SCHEMBL16013236 0.79 NPC1 (0.50) KIF11DGAT1SOAT1KCNH2
SCHEMBL8548872 0.79 POLB (0.43) KIF11CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 KIF11 4145/4885CTSS 2445/4885CTSK 2507/4885

“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.