SCHEMBL16635285

SCHEMBL16635285

COC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
CFTR P13569 1/20 0.44
TDO2 P48775 2/20 0.44
IDO1 P14902 1/20 0.44
GAA P10253 2/20 0.42
HDAC1 Q13547 2/20 0.41
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CASP1 P29466 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
TRPA1 O75762 1/20 0.39
XDH P47989 1/20 0.39
PARP1 P09874 1/20 0.39
POLQ O75417 1/20 0.39
ALOX5AP P20292 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
SCHEMBL16635460 0.87 TRPA1 (0.41) GAAALDH1A1CASP1HPGDTSHR
SCHEMBL1550266 0.83 CFTR (0.48) MAPTCFTRTDO2IDO1GAA
SCHEMBL16635454 0.81 CFTR (0.47) MAPTCFTRTDO2IDO1GAA
SCHEMBL16635427 0.79 CFTR (0.47) MAPTCFTRTDO2IDO1GAA
SCHEMBL11608812 0.78 CFTR (0.61) CFTRGAAALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL16635448 0.78 CFTR (0.46) MAPTCFTRTDO2IDO1GAA
SCHEMBL23768297 0.75 XDH (0.47) MAPTCFTRGAAALDH1A1HPGD
SCHEMBL30129893 0.75 CFTR (0.45) MAPTCFTRGAAHPGDXDH
SCHEMBL23754114 0.75 CFTR (0.45) MAPTCFTRGAAHPGDXDH
SCHEMBL1549552 0.73 CFTR (0.44) MAPTCFTRTDO2IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
EP-3055302-B1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-10-04 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
EP-3055302-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 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 (5 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MAPT 2966/4885CFTR 129/4885TDO2 2080/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MAPT 2966/4885CFTR 129/4885TDO2 2080/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MAPT 2966/4885CFTR 129/4885TDO2 2080/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MAPT 2966/4885CFTR 129/4885TDO2 2080/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 MAPT 2966/4885CFTR 129/4885TDO2 2080/4885

“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.