SCHEMBL6344624

SCHEMBL6344624

CC(C)(CCSc1ccc(SCCC(C)(C)S(=O)(=O)O)cc1)S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.54
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA7 P43166 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
HPGD P15428 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
CNR2 P34972 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3389954 0.74
SCHEMBL6346838 0.74 RECQL (0.41) CA2CA12CA1CA7CA13
SCHEMBL6344301 0.73 BHMT (0.30)
SCHEMBL6345235 0.73 CA2 (0.68) CA2CA12CA1CA7CA13
SCHEMBL17480197 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6341087 0.69
SCHEMBL6352969 0.68 CA2 (0.45) CA2CA12CA1CA7CA13
SCHEMBL6342775 0.67 HPGD (0.44) CA2HPGDALDH1A1NPC1RAB9A
SCHEMBL21893225 0.65 HPGD (0.50) CA2HPGDALDH1A1MAPTNPC1
SCHEMBL6354012 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004532799-A 2004-10-28 JP claimed
JP-2004531459-A 2004-10-14 JP claimed
US-20040122091-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-06-24 US claimed
US-6673780-B2 SUCH AS 4-(4-(3-HYDROXY-3-METHYL-BUTANE-1-SULFINYLMETHYL)-PHENYLMETHANESULFINYL)-2 -METHYL-BUTAN1-OL FOR TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, DYSPROTEINEMIAS, AND GLUCOSE METABOLISM DISORDERS ESPERION THERAPEUTICS, INC. 2004-01-06 US claimed
EP-1366024-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-12-03 EP claimed
EP-1363879-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-11-26 EP claimed
WO-2002030882-A9 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO claimed
US-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-30 US claimed
US-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 US claimed
WO-2002030884-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
WO-2002030882-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
WO-2005068418-A1 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-01-27 US disclosed
EP-1363879-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-11-26 EP disclosed
WO-2002030884-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO 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 (4 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-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, IAPP, STS CA2 2669/4885CA12 2256/4885CA1 1630/4885
US-20040122091-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB CA2 4679/4885CA12 4333/4885CA1 3822/4885
US-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB CA2 4679/4885CA12 4333/4885CA1 3822/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS CA2 2637/4885CA12 2436/4885CA1 1730/4885

“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.