SCHEMBL16903690

SCHEMBL16903690

O=C(CN(CC1COC1)S(=O)(=O)c1ccc(F)cc1)NCc1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 12/20 0.48
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RORC P51449 2/20 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
SCHEMBL16894129 0.87 ALDH1A1 (0.51) TRPA1ALDH1A1MEN1LMNAPOLB
SCHEMBL16894077 0.85 TRPA1 (0.53) TRPA1ALDH1A1MEN1LMNAPOLB
SCHEMBL16894092 0.85 ALDH1A1 (0.59) TRPA1ALDH1A1MEN1LMNAPOLB
SCHEMBL16894084 0.85 MMP1 (0.53) TRPA1ALDH1A1MEN1LMNAPOLB
SCHEMBL16894087 0.83 ALDH1A1 (0.58) TRPA1ALDH1A1MEN1LMNAPOLB
SCHEMBL16894110 0.82 TRPA1 (0.56) TRPA1ALDH1A1MEN1LMNAPOLB
SCHEMBL16894223 0.82 TRPA1 (0.56) TRPA1ALDH1A1MEN1LMNAPOLB
SCHEMBL16894107 0.80 TRPA1 (0.69) TRPA1ALDH1A1MEN1LMNAPOLB
SCHEMBL16894086 0.77 ALDH1A1 (0.65) TRPA1ALDH1A1MEN1LMNAPOLB
SCHEMBL16894182 0.76 TRPA1 (0.61) TRPA1ALDH1A1MEN1POLBKMT2A

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 5 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
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-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 949/4885MEN1 3909/4885

“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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