SCHEMBL16635084

SCHEMBL16635084

NCc1cc(-c2ccc(C(F)(F)F)cn2)cc(F)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
KDM1A O60341 6/20 0.42
KIF11 P52732 1/20 0.42
MAOB P27338 2/20 0.40
NPSR1 Q6W5P4 2/20 0.35
FEN1 P39748 4/20 0.35
ALOX5AP P20292 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
P2RX7 Q99572 1/20 0.34
METAP2 P50579 1/20 0.34
CASP3 P42574 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
Hydrochloric Acid SCHEMBL16635164 0.99 TRPA1 (0.43) TRPA1KDM1AKIF11MAOBNPSR1
SCHEMBL16647931 0.83 TRPA1 (0.48) TRPA1KDM1AKIF11MAOBNPSR1
SCHEMBL16647994 0.80 KIF11 (0.44) TRPA1KDM1AKIF11MAOBNPSR1
Hydrochloric Acid SCHEMBL16635204 0.79 KIF11 (0.43) TRPA1KDM1AKIF11MAOBNPSR1
SCHEMBL18233508 0.79 KIF11 (0.43) KDM1AKIF11MAOBNPSR1FEN1
SCHEMBL16634903 0.78 KDM1A (0.42) TRPA1KDM1AKIF11MAOBNPSR1
Hydrochloric Acid SCHEMBL18223610 0.78 KIF11 (0.42) KDM1AKIF11MAOBNPSR1FEN1
SCHEMBL16635397 0.75 CTSS (0.42) TRPA1KDM1AKIF11MAOBNPSR1
SCHEMBL28074561 0.75 KIF11 (0.42) TRPA1KDM1AKIF11MAOBNPSR1
SCHEMBL1416678 0.74 KIF11 (0.48) TRPA1KDM1AKIF11MAOBNPSR1

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 15 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
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 TRPA1 1/4885KDM1A 3571/4885KIF11 4639/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885KDM1A 3571/4885KIF11 4639/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885KDM1A 3571/4885KIF11 4639/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885KDM1A 3571/4885KIF11 4639/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 TRPA1 1/4885KDM1A 3571/4885KIF11 4639/4885

“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.