SCHEMBL16635377

SCHEMBL16635377

N#Cc1cc(-c2cnc(C(F)(F)F)nc2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.49
GRM5 P41594 8/20 0.35
CTSS P25774 2/20 0.34
USP30 Q70CQ3 1/20 0.33
DGAT1 O75907 1/20 0.33
TRPA1 O75762 4/20 0.32
CFTR P13569 3/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL29411236 0.80 KMO (0.52) KMOTRPA1
SCHEMBL16894281 0.80 KMO (0.52) KMOTRPA1
SCHEMBL893755 0.77 KMO (0.56) KMOCTSSDGAT1
SCHEMBL19795561 0.75 KMO (0.50) KMOGRM5CTSSUSP30DGAT1
SCHEMBL16635390 0.75 AAK1 (0.39) KMOTRPA1
SCHEMBL16635474 0.73 KMO (0.55) KMOCTSS
SCHEMBL16635303 0.72 KMO (0.54) KMOTRPA1CYP1A2
SCHEMBL18223974 0.72 KMO (0.43) KMOGRM5CTSSDGAT1CYP1A2
SCHEMBL16635095 0.71 TRPA1 (0.38) TRPA1
SCHEMBL28074525 0.71 CYP1A2 (0.52) CYP1A2

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 22 patents — showing the first 20. 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-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same EA PHARMA CO., LTD. (JP) 2020-04-21 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-3101015-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO LTD (JP) 2019-09-18 EP 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-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME EA PHARMA CO., LTD. (JP) 2018-06-14 US disclosed
EP-3330266-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME EA PHARMA CO., LTD. (JP) 2018-06-06 EP disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
EP-3101015-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA Pharma Co., Ltd. (JP) 2016-12-07 EP disclosed
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO., LTD. (JP) 2016-11-17 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
CN-105612153-A Substituted sulfonamide compounds as TRPA1 conditioner HOFFMANN LA ROCHE 2016-05-25 CN 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 (8 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 KMO 1510/4885GRM5 391/4885CTSS 2463/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 KMO 1510/4885GRM5 391/4885CTSS 2463/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 KMO 1510/4885GRM5 391/4885CTSS 2463/4885
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME TRPA1, TRPV1, TRPV2 KMO 2240/4885GRM5 470/4885CTSS 1700/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 KMO 1510/4885GRM5 391/4885CTSS 2463/4885
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same TRPA1, TRPV1, TRPV2 KMO 2240/4885GRM5 470/4885CTSS 1700/4885
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME TRPA1, TRPV1, TRPV2 KMO 2399/4885GRM5 335/4885CTSS 2205/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 KMO 1510/4885GRM5 391/4885CTSS 2463/4885

“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.