SCHEMBL21716474

SCHEMBL21716474

NCc1cc(-c2cnc(C(F)(F)F)cn2)c(Cl)cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.33
TRPA1 O75762 2/20 0.32
KDM1A O60341 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL16647905 0.84 TRPA1 (0.42) LOXL2LOXTRPA1KDM1AALOX5AP
Hydrochloric Acid SCHEMBL16635002 0.83 TRPA1 (0.41) LOXL2LOXTRPA1ALOX5APFEN1
SCHEMBL16634927 0.79 TRPA1 (0.45) LOXL2TRPA1
SCHEMBL21716472 0.74 GPBAR1 (0.33) ALOX5APFEN1SLC6A2SLC6A4SLC6A3
SCHEMBL24635124 0.74 LOXL2 (0.41) LOXL2LOX
SCHEMBL16635649 0.74 TRPA1 (0.40) TRPA1
SCHEMBL18233502 0.72 LOXL2 (0.44) LOXL2LOXTRPA1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29411292 0.72 TRPA1 (0.39) LOXL2LOXTRPA1
SCHEMBL16823671 0.72 IDO1 (0.38) LOXL2LOX
Hydrochloric Acid SCHEMBL18185602 0.70 IDO1 (0.39) LOXL2LOX

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LOXL2 2972/4885LOX 3601/4885TRPA1 1/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 LOXL2 2972/4885LOX 3601/4885TRPA1 1/4885

“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.