SCHEMBL16635488

SCHEMBL16635488

COc1nn(-c2cnc(C(F)(F)F)nc2)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
DGAT1 O75907 2/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
KMT2A Q03164 2/20 0.33
ASPH Q12797 1/20 0.33
MEN1 O00255 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
SCHEMBL17973850 0.89 TRPA1 (0.43) TRPA1L3MBTL1ATMALDH1A1HDAC11
SCHEMBL16635561 0.88 TRPA1 (0.43) TRPA1ALDH1A1HDAC11DGAT1KMT2A
SCHEMBL16635272 0.84 NFKB1 (0.48) TRPA1ALDH1A1LMNAMAPT
SCHEMBL17987274 0.83 L3MBTL1 (0.39) TRPA1L3MBTL1ATMALDH1A1HPGD
SCHEMBL17979498 0.79 TRPA1 (0.40) TRPA1HDAC11PPARDPPARA
SCHEMBL19807603 0.78 TRPA1 (0.55) TRPA1
SCHEMBL4302539 0.77 L3MBTL1 (0.62) L3MBTL1ATMALDH1A1HPGDLMNA
SCHEMBL17979259 0.77 TRPA1 (0.48) TRPA1ALDH1A1HPGD
SCHEMBL19795013 0.77 TRPA1 (0.40) TRPA1ALDH1A1POLBKMT2AMEN1
SCHEMBL19120306 0.76 L3MBTL1 (0.48) TRPA1L3MBTL1ATMALDH1A1HPGD

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 26 patents — showing the first 20. 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
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-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-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US 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-20190144428-A1 BICYCLIC PROLINE COMPOUNDS GENENTECH, INC. (US) 2019-05-16 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
WO-2018015410-A1 BICYCLIC PROLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-01-25 WO 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
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 (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 TRPA1 1/4885L3MBTL1 4710/4885ATM 3551/4885
US-10597383-B2 Bicyclic proline compounds TRPA1, TRPV1, TRPV5 TRPA1 1/4885L3MBTL1 4239/4885ATM 4285/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885L3MBTL1 4710/4885ATM 3551/4885
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS TRPA1, TRPV1, TRPV5 TRPA1 1/4885L3MBTL1 4239/4885ATM 4285/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885L3MBTL1 4710/4885ATM 3551/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 TRPA1 1/4885L3MBTL1 4831/4885ATM 3587/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 TRPA1 1/4885L3MBTL1 4710/4885ATM 3551/4885

“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.