SCHEMBL20113239

SCHEMBL20113239

CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]1C(=O)NCc1cc(-c2ccc(C(F)(F)F)nc2)ncc1C(O)O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 19/20 0.47
EPHX2 P34913 1/20 0.38

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
SCHEMBL17959563 0.91 TRPA1 (0.47) TRPA1
SCHEMBL16634932 0.91 TRPA1 (0.47) TRPA1
SCHEMBL16648017 0.90 TRPA1 (0.46) TRPA1EPHX2
SCHEMBL16648036 0.90 TRPA1 (0.46) TRPA1
SCHEMBL16635476 0.90 TRPA1 (0.46) TRPA1EPHX2
SCHEMBL16636112 0.85 TRPA1 (0.59) TRPA1
SCHEMBL16635295 0.85 TRPA1 (0.59) TRPA1
SCHEMBL16647805 0.85 TRPA1 (0.59) TRPA1
SCHEMBL16648156 0.82 TRPA1 (0.51) TRPA1
SCHEMBL16648117 0.80 TRPA1 (0.68) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 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 (1 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-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885EPHX2 1394/4885

“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.