SCHEMBL17979062

SCHEMBL17979062

OCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 16/20 0.42
TRPV3 Q8NET8 1/20 0.41
HDAC1 Q13547 2/20 0.33
PTGES O14684 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL16635524 0.86 TRPA1 (0.40) TRPA1TRPV3HDAC1
SCHEMBL17979300 0.86 TRPA1 (0.40) TRPA1TRPV3HDAC1PTGESHDAC6
SCHEMBL18068213 0.86 TRPA1 (0.43) TRPA1TRPV3HDAC1PTGES
SCHEMBL17979204 0.84 PTGES (0.38) TRPA1TRPV3PTGES
SCHEMBL16635100 0.84 TRPA1 (0.42) TRPA1TRPV3PTGES
SCHEMBL18069503 0.82 TRPA1 (0.39) TRPA1TRPV3PTGESHDAC6
SCHEMBL21442094 0.82 TRPA1 (0.46) TRPA1TRPV3PTGES
SCHEMBL18047648 0.81 TRPA1 (0.52) TRPA1TRPV3PTGES
SCHEMBL18017111 0.79 TRPA1 (0.44) TRPA1TRPV3HDAC1
SCHEMBL17979171 0.77 TRPV3 (0.38) TRPA1TRPV3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922392-B 1- (hetero) arylsulfonyl- (pyrrolidine or piperidine) -2-carboxamide derivatives and uses thereof 豪夫迈·罗氏有限公司 2020-07-21 CN disclosed
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 EP disclosed
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 EP disclosed
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 US disclosed
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 US disclosed
EP-3256463-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2017-12-20 EP disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 US disclosed
WO-2016128529-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 WO disclosed
WO-2016128529-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 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 (2 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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 TRPA1 1/4885TRPV3 5/4885HDAC1 1748/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 TRPA1 1/4885TRPV3 5/4885HDAC1 1748/4885

“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.