SCHEMBL16894239

SCHEMBL16894239

CC(C)[C@H](C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cc2)c1)N(C)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.49
▸ ADAMTS4 O75173 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MMP1 P03956 3/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ MMP14 P50281 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CASR P41180 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ ADAMTS7 Q9UKP4 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRL1 P41146 1/20 0.39

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
SCHEMBL16894168 1.00 TRPA1 (0.49) TRPA1ADAMTS4KDM4EALDH1A1MMP1
SCHEMBL16894165 1.00 TRPA1 (0.49) TRPA1ADAMTS4KDM4EALDH1A1MMP1
SCHEMBL16894158 0.92 TRPA1 (0.51) TRPA1KDM4EALDH1A1MEN1LMNA
SCHEMBL16894143 0.92 TRPA1 (0.51) TRPA1KDM4EALDH1A1MEN1LMNA
SCHEMBL16894144 0.92 TRPA1 (0.51) TRPA1KDM4EALDH1A1MEN1LMNA
SCHEMBL16894246 0.88 TRPA1 (0.47) TRPA1KDM4EALDH1A1MEN1LMNA
SCHEMBL16894204 0.85 TRPA1 (0.46) TRPA1KDM4EALDH1A1MEN1LMNA
SCHEMBL16894202 0.85 TRPA1 (0.46) TRPA1KDM4EALDH1A1MEN1LMNA
SCHEMBL19917747 0.83 TRPA1 (0.43) TRPA1CASRTACR1CCR2OPRM1
SCHEMBL19917726 0.83 TRPA1 (0.43) TRPA1CASRTACR1CCR2OPRM1

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 1/4885ADAMTS4 3407/4885KDM4E 3451/4885

“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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