SCHEMBL493253

SCHEMBL493253

CN(CCOCC(=O)O)S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.56
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44
HCRTR2 O43614 1/20 0.43
SERPINE1 P05121 2/20 0.43

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
SCHEMBL493487 0.85 KEAP1 (0.52) KEAP1NFE2L2LMNAHTTALDH1A1
SCHEMBL493500 0.83 LMNA (0.49) KEAP1NFE2L2LMNAHTTALDH1A1
SCHEMBL5128119 0.82 ALDH1A1 (0.55) LMNAHTTALDH1A1GAASMN1; SMN2
SCHEMBL493230 0.81 PTGDR2 (0.49) KEAP1NFE2L2LMNAHTTALDH1A1
SCHEMBL20314700 0.77 HTR2A (0.48) BDKRB1KEAP1NFE2L2HDAC3HDAC4
SCHEMBL492969 0.76 CA1 (0.47) HDAC3HDAC11HDAC8HDAC6LMNA
SCHEMBL29306672 0.76 HTR2A (0.45) BDKRB1KEAP1NFE2L2HDAC3HDAC4
SCHEMBL5128992 0.76 GBA1 (0.44) BDKRB1LMNAHTTALDH1A1GAA
SCHEMBL3440071 0.74 BDKRB1 (0.46) BDKRB1KEAP1NFE2L2LMNAHTT
SCHEMBL493489 0.74 PDE4D (0.50) LMNAHTTALDH1A1GAAHCRTR2

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 BDKRB1 1/4885KEAP1 650/4885NFE2L2 2304/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD BDKRB1 1622/4885KEAP1 3484/4885NFE2L2 666/4885

“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.