SCHEMBL6356281

SCHEMBL6356281

CC(C)(CO)CCCCCSCCCCCC(C)(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.49
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
TDP1 Q9NUW8 2/20 0.41
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
TBXAS1 P24557 2/20 0.38
CYP2C9 P11712 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PPARA Q07869 3/20 0.33
LTB4R Q15722 3/20 0.32
TTR P02766 1/20 0.31

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
SCHEMBL6347076 0.93 ACLY (0.43) ACLYACACBACACATDP1FFAR1
SCHEMBL6354018 0.89 ACLY (0.59) ACLYACACBACACATDP1FFAR1
SCHEMBL6352958 0.87 ACLY (0.55) ACLYACACBACACATDP1FFAR1
SCHEMBL6348353 0.85 FFAR1 (0.38) TDP1FFAR1CPT2CYP2C9GMNN
SCHEMBL5517738 0.83 TDP1 (0.34) TDP1FFAR1CPT2
SCHEMBL6348466 0.81 ACLY (0.52) ACLYACACBACACATDP1TBXAS1
SCHEMBL3286590 0.81 ACLY (0.50) ACLYACACBACACATDP1FFAR1
SCHEMBL14338198 0.81 ACLY (0.50) ACLYACACBACACATDP1FFAR1
SCHEMBL186600 0.81 ACLY (0.50) ACLYACACBACACATDP1FFAR1
SCHEMBL6343334 0.79 ACLY (0.50) ACLYACACBACACATDP1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004532799-A 2004-10-28 JP claimed
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 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
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
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-01-27 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-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-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.