SCHEMBL6345166

SCHEMBL6345166

CC(C)(CCSCCCSCCC(C)(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL6344402 0.94 ALDH1A1 (0.49) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL6352946 0.90 ALDH1A1 (0.40) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL6346285 0.87 CYP2C19 (0.46) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL7202669 0.85 PTGER1 (0.43) ALDH1A1LMNACYP3A4SMN1; SMN2RAB9A
SCHEMBL6344409 0.85 ALDH1A1 (0.40) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL6342853 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL22812898 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL1273294 0.81 CYP4F2 (0.53) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL4102278 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL2152137 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1TDP1MAPK1KMT2A

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 17 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
WO-2005047236-A1 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-05-26 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-1366024-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-12-03 EP disclosed
WO-2002030882-A9 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed
WO-2002030882-A2 SULFOXIDE AND BIS-SULFOXIDE 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 ALDH1A1 2827/4885L3MBTL1 3636/4885TDP1 3733/4885
US-20040122091-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB ALDH1A1 3113/4885L3MBTL1 2056/4885TDP1 3062/4885
US-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB ALDH1A1 3113/4885L3MBTL1 2056/4885TDP1 3062/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS ALDH1A1 2643/4885L3MBTL1 3599/4885TDP1 3708/4885

“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.