SCHEMBL5526952

SCHEMBL5526952

CC(C)(CCCSCSCCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.48
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
PPARA Q07869 8/20 0.38
TBXAS1 P24557 4/20 0.37
TSHR P16473 2/20 0.36
CYP2C9 P11712 2/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1A P35348 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
GUCY1A1 Q02108 1/20 0.35

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
SCHEMBL6348466 0.91 ACLY (0.52) ACLYACACBACACAPPARATBXAS1
SCHEMBL6343334 0.89 ACLY (0.50) ACLYACACBACACAPPARATBXAS1
SCHEMBL5529300 0.89 ACLY (0.50) ACLYACACBACACAPPARATBXAS1
SCHEMBL6344209 0.85 CYP4F2 (0.53) ACLYACACBACACAPPARATSHR
SCHEMBL6352958 0.84 ACLY (0.55) ACLYACACBACACAPPARATBXAS1
SCHEMBL6354018 0.83 ACLY (0.59) ACLYACACBACACAPPARATBXAS1
SCHEMBL6347076 0.80 ACLY (0.43) ACLYACACBACACAPPARATBXAS1
SCHEMBL13355269 0.80 ACLY (0.50) ACLYACACBACACAPPARATBXAS1
SCHEMBL5539412 0.80 ACLY (0.45) ACLYACACBACACAPPARATBXAS1
SCHEMBL2784372 0.78 ACLY (0.62) ACLYACACBACACAPPARATBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY (US) 2007-08-30 US claimed
US-20040048910-A1 Dialkyl ether di-substituted with formyl, carboxy acid, ester and/or tetrazole, which are on tertiary carbon atoms, e.g., 6-(5-carboxy-5-methylhexyloxy)-2,2-dimethylhexanoic acid; lupus, connective tissue disease, sepsis, joint pain WARNER-LAMBERT COMPANY 2004-03-11 US claimed
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY (US) 2007-08-30 US disclosed
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
US-20040048910-A1 Dialkyl ether di-substituted with formyl, carboxy acid, ester and/or tetrazole, which are on tertiary carbon atoms, e.g., 6-(5-carboxy-5-methylhexyloxy)-2,2-dimethylhexanoic acid; lupus, connective tissue disease, sepsis, joint pain WARNER-LAMBERT COMPANY 2004-03-11 US disclosed
US-6703422-B2 FOR THERAPY AND PROPHYLAXIS OF CARDIOVASCULAR DISEASE, DYSLIPIDEMIA; DYSLIPOPROTEINEMIA; DISORDER OF GLUCOSE METABOLISM; ALZHEIMER'S DISEASE; SYNDROME X; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ASSOCIATED DISORDER ESPERION THERAPEUTICS, INC. 2004-03-09 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
US-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 US 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 ACLY 287/4885ACACB 367/4885ACACA 312/4885
US-20040048910-A1 Dialkyl ether di-substituted with formyl, carboxy acid, ester and/or tetrazole, which are on tertiary carbon atoms, e.g., 6-(5-carboxy-5-methylhexyloxy)-2,2-dimethylhexanoic acid; lupus, connective tissue disease, sepsis, joint pain TLR5, SSB, TLR4 ACLY 3034/4885ACACB 2221/4885ACACA 1120/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF ACLY 560/4885ACACB 412/4885ACACA 228/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS ACLY 266/4885ACACB 376/4885ACACA 280/4885

“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.