SCHEMBL16634865

SCHEMBL16634865

Fc1cnc(Cl)cc1N1CCC(F)(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.39
TRPA1 O75762 1/20 0.38
GSK3B P49841 5/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 2/20 0.36
TRPV3 Q8NET8 1/20 0.36
ADRB2 P07550 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR2 P34972 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 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
SCHEMBL16635338 0.87 FFAR4 (0.44) TRPA1FFAR4ALDH1A1ALOX15MAPK10
SCHEMBL16702719 0.83 GSK3A (0.39) GSK3AGSK3BMAPTADRB2CNR2
SCHEMBL25689702 0.81 IP6K1 (0.40) MAPTALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL30510175 0.79 PARP1 (0.39) GSK3AGSK3BFFAR4MAPTALDH1A1
SCHEMBL25302184 0.79 PARP1 (0.39) GSK3AGSK3BFFAR4MAPTALDH1A1
SCHEMBL16635304 0.77 CHRNB2 (0.38) FFAR4ALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL16635471 0.77 SCN10A (0.40) GSK3ATRPA1GSK3BPDE3BPDE3A
SCHEMBL16702523 0.77 LMNA (0.43) GSK3AGSK3BMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL16635278 0.76 TRPA1 (0.42) GSK3ATRPA1GSK3BPDE3BPDE3A
SCHEMBL29765410 0.74 HTT (0.40) FFAR4ALDH1A1ALOX15HSD17B10SMN1; SMN2

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 8 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-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
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
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 GSK3A 4469/4885TRPA1 1/4885GSK3B 4540/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 GSK3A 4469/4885TRPA1 1/4885GSK3B 4540/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 GSK3A 4469/4885TRPA1 1/4885GSK3B 4540/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 GSK3A 4469/4885TRPA1 1/4885GSK3B 4540/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 GSK3A 4469/4885TRPA1 1/4885GSK3B 4540/4885

“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.