SCHEMBL16635039

SCHEMBL16635039

N#Cc1cc(-c2ccc(C(F)(F)F)nc2)c(F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
MAP4K4 O95819 1/20 0.40
KCNH2 Q12809 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 1/20 0.39
AEBP2 Q6ZN18 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
DGAT1 O75907 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
TRPA1 O75762 2/20 0.37
GABRA1 P14867 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36

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
SCHEMBL16635568 0.84 GPBAR1 (0.43) PIK3CAPI4KBMAP4K4KCNH2MINK1
SCHEMBL16635270 0.84 PIK3CA (0.40) PIK3CAPI4KBMAP4K4KCNH2MINK1
SCHEMBL16635156 0.81 PDE10A (0.52) PIK3CAPI4KBMAP4K4KCNH2MINK1
SCHEMBL18076024 0.79 GRM2 (0.43)
SCHEMBL16635638 0.78 FEN1 (0.37) GPBAR1TRPA1
SCHEMBL16635309 0.78 PIK3CA (0.43) PIK3CAPI4KBMAP4K4KCNH2MINK1
SCHEMBL16894249 0.78 MYC (0.49) PIK3CAPI4KBTRPV4DGAT1PIK3CD
SCHEMBL16906532 0.78 PTGS2 (0.47) PIK3CAPI4KBMAP4K4KCNH2MINK1
SCHEMBL16635029 0.77 PTPN1 (0.42) PIK3CAPI4KBMAP4K4KCNH2MINK1
SCHEMBL16635562 0.75 PIK3CA (0.43) PIK3CAPI4KBMAP4K4KCNH2MINK1

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 14 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
CN-105612153-B Substituted heterocyclic sulfonamide compound as TRPA1 conditioning agents 豪夫迈·罗氏有限公司 2018-09-14 CN 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
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 PIK3CA 2081/4885PI4KB 4015/4885MAP4K4 1688/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PIK3CA 2081/4885PI4KB 4015/4885MAP4K4 1688/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PIK3CA 2081/4885PI4KB 4015/4885MAP4K4 1688/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PIK3CA 2081/4885PI4KB 4015/4885MAP4K4 1688/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 PIK3CA 2081/4885PI4KB 4015/4885MAP4K4 1688/4885

“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.