SCHEMBL16894117

SCHEMBL16894117

COc1cc(CNC(=O)CN(C(C)C)S(=O)(=O)c2ccc(F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 17/20 0.53
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ BMP1 P13497 2/20 0.45

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
SCHEMBL16894134 0.90 TRPA1 (0.57) TRPA1MMP3
SCHEMBL16894105 0.90 KDM4E (0.48) TRPA1BMP1
SCHEMBL16894225 0.88 TRPA1 (0.53) TRPA1MMP3BMP1
SCHEMBL16894081 0.87 TRPA1 (0.61) TRPA1MMP3
SCHEMBL18558127 0.86 TRPA1 (0.53) TRPA1MMP3
SCHEMBL16894107 0.86 TRPA1 (0.69) TRPA1
SCHEMBL16894121 0.84 TRPA1 (0.59) TRPA1
SCHEMBL19917714 0.84 TRPA1 (0.42) TRPA1BMP1
SCHEMBL16894229 0.84 CASR (0.57) TRPA1
SCHEMBL19917716 0.83 TRPA1 (0.41) 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 11 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
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 1/4885MMP1 2584/4885MMP2 3774/4885

“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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