SCHEMBL493487

SCHEMBL493487

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 8/20 0.52
NFE2L2 Q16236 7/20 0.52
LMNA P02545 2/20 0.50
MEP1B Q16820 1/20 0.49
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TAS2R14 Q9NYV8 2/20 0.46
KDM4E B2RXH2 1/20 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
SCHEMBL5128119 0.86 ALDH1A1 (0.55) LMNAHTTALDH1A1
SCHEMBL493500 0.85 LMNA (0.49) KEAP1NFE2L2LMNAHTTALDH1A1
SCHEMBL493230 0.85 PTGDR2 (0.49) KEAP1NFE2L2LMNAHTTALDH1A1
SCHEMBL493253 0.85 BDKRB1 (0.56) KEAP1NFE2L2LMNAMEP1BHTT
SCHEMBL493489 0.83 PDE4D (0.50) LMNAHTTALDH1A1
SCHEMBL15372721 0.81 BDKRB1 (0.57) LMNA
SCHEMBL5117768 0.80 BDKRB1 (0.57) KEAP1NFE2L2LMNAALDH1A1
SCHEMBL700853 0.79 BDKRB1 (0.62)
SCHEMBL4484352 0.78 BDKRB1 (0.51)
SCHEMBL15347791 0.78 BDKRB1 (0.61)

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
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 (2 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 KEAP1 650/4885NFE2L2 2304/4885LMNA 1324/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD KEAP1 3484/4885NFE2L2 666/4885LMNA 2485/4885

“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.