SCHEMBL16005109

SCHEMBL16005109

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
MAOB P27338 2/20 0.47
NPBWR1 P48145 2/20 0.47
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
TOP1 P11387 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KIF11 P52732 3/20 0.42
DPP4 P27487 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
AGXT P21549 1/20 0.41
RAD51 Q06609 1/20 0.40
TLR8 Q9NR97 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL16013822 0.85 LOXL2 (0.45) LTA4HMAOBNPBWR1CTSSCTSK
SCHEMBL16012547 0.83 MAPK1 (0.44) LTA4HMAOBNPBWR1CTSSCTSK
SCHEMBL16013976 0.82 LOXL2 (0.43) LTA4HMAOBNPBWR1CTSSCTSK
SCHEMBL893388 0.82 CASP1 (0.50) LTA4HNPBWR1CASP1
SCHEMBL3718582 0.81 LOXL2 (0.57) LTA4HMAOBNPBWR1TOP1TAAR1
SCHEMBL3717904 0.81 CASP1 (0.49) LTA4HCASP1
SCHEMBL18233504 0.80 CASP1 (0.43) LTA4HMAOBNPBWR1TAAR1KIF11
SCHEMBL3725421 0.79 DPP4 (0.50) LTA4HMAOBNPBWR1CTSSCTSK
Hydrochloric Acid SCHEMBL18224136 0.79 MAOB (0.45) LTA4HMAOBNPBWR1TAAR1KIF11
SCHEMBL16013548 0.79 PIK3CA (0.48)

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 LTA4H 423/4885MAOB 3798/4885NPBWR1 252/4885

“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.