SCHEMBL16635038

SCHEMBL16635038

COc1nn(-c2ccc(C(F)(F)F)cc2)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
TRPA1 O75762 5/20 0.43
AADAT Q8N5Z0 1/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
MAPKAPK2 P49137 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 1/20 0.39
OPRD1 P41143 1/20 0.39
P2RY14 Q15391 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SCN9A Q15858 1/20 0.38
DHODH Q02127 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL17973851 0.88 TRPA1 (0.44) TRPA1AADATDGAT1NOTUMGPR119
SCHEMBL16635806 0.83 NPSR1 (0.48) CA12CA9TRPA1KDM4EALDH1A1
SCHEMBL16635561 0.82 TRPA1 (0.43) CA12CA1CA2CA9TRPA1
SCHEMBL16634867 0.76 TRPA1 (0.47) CA12CA2CA9TRPA1AADAT
SCHEMBL16634906 0.76 TRPA1 (0.49) CA1CA2CA9TRPA1AADAT
SCHEMBL16635554 0.76 KMT2A (0.43) TRPA1AADATKDM4EALDH1A1SMN1; SMN2
SCHEMBL718378 0.75 MAPT (0.48) CA12CA1CA2CA9AADAT
SCHEMBL23803814 0.74 GPR52 (0.54) PARP1
SCHEMBL30121006 0.74 GPR52 (0.54) PARP1
SCHEMBL17959633 0.73 NPC1 (0.43) TRPA1AADATMAPKAPK2NOTUM

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
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
CN-109476640-B Bicyclic proline compounds 豪夫迈·罗氏有限公司 2022-02-25 CN disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-10597383-B2 Bicyclic proline compounds GENENTECH, INC. (US) 2020-03-24 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS GENENTECH, INC. (US) 2019-05-16 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
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
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 (7 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 CA12 3292/4885CA1 1560/4885CA2 319/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 CA12 3292/4885CA1 1560/4885CA2 319/4885
US-10597383-B2 Bicyclic proline compounds TRPA1, TRPV1, TRPV5 CA12 3785/4885CA1 1369/4885CA2 513/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 CA12 3292/4885CA1 1560/4885CA2 319/4885
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS TRPA1, TRPV1, TRPV5 CA12 3785/4885CA1 1369/4885CA2 513/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 CA12 3292/4885CA1 1560/4885CA2 319/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 CA12 3292/4885CA1 1560/4885CA2 319/4885

“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.