SCHEMBL16004999

SCHEMBL16004999

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.49
SCN9A Q15858 2/20 0.49
TRPA1 O75762 2/20 0.49
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
ACP1 P24666 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
DHODH Q02127 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL894210 0.83 SCN10A (0.46) SCN5ASCN9ATRPA1NISCHKDM4E
SCHEMBL16014446 0.83 GALR2 (0.46) SCN5ASCN9ATRPA1ACP1KDM4E
SCHEMBL28042882 0.80 KDM1A (0.39) SCN5ASCN9ATRPA1NISCHKDM1A
SCHEMBL28042881 0.80 ABL1 (0.49) SCN9ACTSSCTSKKDM4EALDH1A1
SCHEMBL28074630 0.80 KDM4E (0.47) SCN5ASCN9ATRPA1ADORA1ADORA2A
SCHEMBL2803766 0.79 KIF11 (0.57) SCN5ASCN9ATRPA1DHODHNISCH
SCHEMBL19514025 0.78 KDM4E (0.57) SCN5ASCN9ATRPA1NISCHKDM4E
SCHEMBL16005299 0.78 KIF11 (0.61) ADORA1ADORA3CTSSCTSK
Hydrochloric Acid SCHEMBL4599674 0.78 KIF11 (0.55) SCN5ASCN9ATRPA1DHODHNISCH
SCHEMBL10284142 0.77 SCN9A (0.61) SCN9AADORA1ADORA2AKDM4EALDH1A1

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 SCN5A 123/4885SCN9A 96/4885TRPA1 1/4885

“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.