SCHEMBL18018337

SCHEMBL18018337

CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cc(Cl)ncc1F

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TRPA1 O75762 12/20 0.46
CFD P00746 7/20 0.42

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
SCHEMBL17979146 0.85 TRPA1 (0.48) TRPA1CFD
SCHEMBL18018360 0.83 TRPA1 (0.52) ALDH1A1TRPA1
SCHEMBL16647985 0.83 TRPA1 (0.44) ALDH1A1TRPA1CFD
SCHEMBL16635220 0.82 TRPA1 (0.46) ALDH1A1TRPA1CFD
SCHEMBL16635219 0.82 TRPA1 (0.46) ALDH1A1TRPA1CFD
SCHEMBL17973856 0.82 ALDH1A1 (0.46) ALDH1A1TRPA1CFD
SCHEMBL18591127 0.80 ALDH1A1 (0.47) ALDH1A1CFD
SCHEMBL29545479 0.80 ALDH1A1 (0.47) ALDH1A1CFD
SCHEMBL17023353 0.80 CFD (0.60) CFD
SCHEMBL19458590 0.80 CFD (0.60) CFD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 EP disclosed
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 US disclosed
WO-2016128529-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 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 (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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 ALDH1A1 461/4885TRPA1 1/4885CFD 1743/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 ALDH1A1 461/4885TRPA1 1/4885CFD 1743/4885

“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.