SCHEMBL16635200

SCHEMBL16635200

FC(F)(F)c1ncc(-c2cc(Cl)nc(Cl)c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
DHFR P00374 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
PIK3CD O00329 1/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ACLY P53396 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
MEN1 O00255 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
CASP3 P42574 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16635089 0.76 HSP90AA1 (0.37) S1PR1DHFRPOLBHTTHSD17B10
SCHEMBL16635368 0.76 PIK3CA (0.49) PIK3CDCASP3ADORA2AADORA1TRPV3
SCHEMBL26635446 0.73 NPC1 (0.44) ALDH1A1SMN1; SMN2KDM4EPIK3CDHTT
SCHEMBL21464453 0.72 MAP4K4 (0.46) DHFRALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL2743753 0.72 S1PR2 (0.42) S1PR1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL18068187 0.72 TRPA1 (0.41) CYP11B1CYP11B2TRPV3TRPA1
SCHEMBL29411250 0.72 TRPA1 (0.37) S1PR1S1PR3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16635443 0.72 TRPA1 (0.37) S1PR1S1PR3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16635390 0.72 AAK1 (0.39) ALDH1A1SMN1; SMN2KDM4EPOLBPIK3CD
SCHEMBL156478 0.71 HTT (0.39) ALDH1A1HTTHSD17B10

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 16 patents. 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-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-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-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 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
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 (5 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 S1PR1 1042/4885S1PR3 923/4885DHFR 2709/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 S1PR1 1042/4885S1PR3 923/4885DHFR 2709/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 S1PR1 1042/4885S1PR3 923/4885DHFR 2709/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 S1PR1 1042/4885S1PR3 923/4885DHFR 2709/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 S1PR1 1042/4885S1PR3 923/4885DHFR 2709/4885

“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.