SCHEMBL6507160

SCHEMBL6507160

CC(C)(CCCCC[S+]([O-])CCCCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.55
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
TBXAS1 P24557 2/20 0.41
LTB4R Q15722 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
PPARA Q07869 5/20 0.36
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
ADRA1A P35348 1/20 0.34
PPARG P37231 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL6504900 0.98 ACLY (0.52) ACLYACACBACACATBXAS1LTB4R
SCHEMBL6708509 0.92 ACLY (0.48) ACLYACACBACACATBXAS1LTB4R
SCHEMBL6503462 0.90 ACLY (0.47) ACLYACACBACACATBXAS1LTB4R
SCHEMBL6699881 0.90 ACLY (0.46) ACLYACACBACACATBXAS1LTB4R
SCHEMBL27578128 0.88 ACLY (0.45) ACLYACACBACACATBXAS1LTB4R
SCHEMBL27596099 0.86 ACLY (0.42) ACLYACACBACACATBXAS1LTB4R
SCHEMBL6692621 0.86 ACLY (0.42) ACLYACACBACACATBXAS1LTB4R
SCHEMBL15309112 0.85 ACLY (0.41) ACLYACACBACACATDP1FFAR1
SCHEMBL20474799 0.82 ACLY (0.74) ACLYACACBACACATBXAS1LTB4R
SCHEMBL5528331 0.82 ACLY (0.74) ACLYACACBACACATBXAS1LTB4R

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
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO 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
CN-1479721-A Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol therapy and related applications ͨ��ҽ�ƹ�˾ 2004-03-03 CN 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
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
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-2005047236-A1 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-05-26 WO disclosed
CN-1479721-A Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol therapy and related applications ͨ��ҽ�ƹ�˾ 2004-03-03 CN disclosed
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 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 (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-20040122091-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB ACLY 434/4885ACACB 388/4885ACACA 466/4885
US-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB ACLY 434/4885ACACB 388/4885ACACA 466/4885

“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.