SCHEMBL17959633

SCHEMBL17959633

COc1nn(-c2ccc(C(F)(F)F)cc2)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPA1 O75762 4/20 0.41
TSHR P16473 1/20 0.38
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
NOTUM Q6P988 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KIF11 P52732 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
AADAT Q8N5Z0 1/20 0.34

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
SCHEMBL16635439 0.81 TRPA1 (0.40) NPC1RAB9ATRPA1TSHR
SCHEMBL16634867 0.75 TRPA1 (0.47) TRPA1SRCBRAFKDRNOTUM
SCHEMBL16634906 0.75 TRPA1 (0.49) NPC1RAB9ATRPA1TSHRSRC
SCHEMBL16635554 0.75 KMT2A (0.43) RAB9ATRPA1SRCBRAFKDR
SCHEMBL17973851 0.74 TRPA1 (0.44) TRPA1NOTUMADORA3AADAT
SCHEMBL16635038 0.73 CA12 (0.44) TRPA1NOTUMMAPKAPK2AADAT
SCHEMBL16647989 0.72 MEN1 (0.46) TRPA1SRCBRAFKDRNOTUM
SCHEMBL17959536 0.72 MEN1 (0.46) TRPA1SRCBRAFKDRNOTUM
SCHEMBL20577700 0.69 KIF11 (0.45) NPC1RAB9AKIF11NPSR1
SCHEMBL29615293 0.69 KIF11 (0.45) NPC1RAB9AKIF11NPSR1

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 10 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
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US 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 NPC1 1385/4885RAB9A 2664/4885TRPA1 1/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NPC1 1385/4885RAB9A 2664/4885TRPA1 1/4885
US-10597383-B2 Bicyclic proline compounds TRPA1, TRPV1, TRPV5 NPC1 502/4885RAB9A 3026/4885TRPA1 1/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NPC1 1385/4885RAB9A 2664/4885TRPA1 1/4885
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS TRPA1, TRPV1, TRPV5 NPC1 502/4885RAB9A 3026/4885TRPA1 1/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NPC1 1385/4885RAB9A 2664/4885TRPA1 1/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 NPC1 1385/4885RAB9A 2664/4885TRPA1 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.