SCHEMBL16894182

SCHEMBL16894182

CCN(CC(=O)NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.60
▸ KMT2A Q03164 2/20 0.56
▸ PTGER1 P34995 1/20 0.54
▸ MMP3 P08254 1/20 0.50
▸ RORC P51449 2/20 0.49
▸ BMP1 P13497 1/20 0.49
▸ MMP1 P03956 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL16894244 0.91 TRPA1 (0.56) TRPA1ALDH1A1KMT2APTGER1MMP3
SCHEMBL16894086 0.90 ALDH1A1 (0.65) TRPA1ALDH1A1KMT2APTGER1RORC
SCHEMBL16894092 0.90 ALDH1A1 (0.59) TRPA1ALDH1A1KMT2APTGER1MMP3
SCHEMBL16894155 0.90 ALDH1A1 (0.56) TRPA1ALDH1A1KMT2APTGER1MMP3
SCHEMBL16906522 0.88 ALDH1A1 (0.63) TRPA1ALDH1A1KMT2AMEN1POLB
SCHEMBL16894115 0.87 TDP1 (0.55) TRPA1ALDH1A1KMT2APTGER1RORC
SCHEMBL16894100 0.87 TRPA1 (0.54) TRPA1ALDH1A1KMT2APTGER1MMP3
SCHEMBL16894225 0.87 TRPA1 (0.53) TRPA1ALDH1A1KMT2APTGER1MMP3
SCHEMBL16894169 0.86 ALDH1A1 (0.53) TRPA1ALDH1A1KMT2APTGER1BMP1
SCHEMBL16894081 0.85 TRPA1 (0.61) TRPA1ALDH1A1PTGER1MMP3RORC

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 10 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 claimed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 — — EP claimed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 — — US claimed
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 — — US disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 — — US 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
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 — — 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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 TRPA1 1/4885ALDH1A1 949/4885KMT2A 2838/4885

“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.

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