SCHEMBL1629905

SCHEMBL1629905

COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(OC)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 19/20 0.76
NFE2L2 Q16236 19/20 0.76
ESR1 P03372 1/20 0.64

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
SCHEMBL7004297 0.89 KEAP1 (0.89) KEAP1NFE2L2
SCHEMBL1631682 0.89 KEAP1 (0.70) KEAP1NFE2L2
SCHEMBL1629157 0.89 KEAP1 (0.70) KEAP1NFE2L2
SCHEMBL1629060 0.86 KEAP1 (1.00) KEAP1NFE2L2
SCHEMBL1631811 0.86 KEAP1 (0.66) KEAP1NFE2L2
SCHEMBL16384063 0.84 ALDH1A1 (0.65) KEAP1NFE2L2ESR1
SCHEMBL1631020 0.81 KEAP1 (0.87) KEAP1NFE2L2
SCHEMBL1630949 0.81 KEAP1 (0.87) KEAP1NFE2L2
SCHEMBL1629341 0.79 KEAP1 (0.66) KEAP1NFE2L2
SCHEMBL1629150 0.78 KEAP1 (0.77) KEAP1NFE2L2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245006-B1 SULFONAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-01 EP disclosed
US-7932269-B2 Sulfonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-26 US disclosed
US-7932269-B2 Sulfonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-26 US disclosed
US-7932269-B2 Sulfonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-26 US disclosed
WO-2009092642-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO disclosed
US-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-23 US disclosed
US-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-23 US disclosed
US-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-23 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-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPSR1 KEAP1 1802/4885NFE2L2 1690/4885ESR1 662/4885

“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.