SCHEMBL16894232

SCHEMBL16894232

CCNCC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 18/20 0.50
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL16894224 0.89 TRPA1 (0.52) TRPA1KDM1AHDAC1
SCHEMBL18236558 0.86 TRPA1 (0.47) TRPA1KDM1AHDAC1
SCHEMBL18236616 0.86 TRPA1 (0.48) TRPA1KDM1AHDAC1
SCHEMBL16894186 0.86 TRPA1 (0.49) TRPA1KDM1AHDAC1
SCHEMBL18236576 0.85 TRPA1 (0.45) TRPA1
SCHEMBL18236614 0.84 LMNA (0.49) TRPA1
SCHEMBL18236784 0.83 TRPA1 (0.46) TRPA1KDM1AHDAC1
SCHEMBL18236568 0.83 TRPA1 (0.46) TRPA1
SCHEMBL18236578 0.82 TRPA1 (0.51) TRPA1
SCHEMBL16894152 0.81 TRPA1 (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
CN-104684899-B Substituted sulfonamide compounds 霍夫曼-拉罗奇有限公司 2017-07-04 CN disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
CN-104684899-A Substituted sulfonamide compounds HOFFMANN LA ROCHE 2015-06-03 CN 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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 TRPA1 1/4885KDM1A 2485/4885HDAC1 1305/4885

“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.