SCHEMBL6344209

SCHEMBL6344209

CCOC(=O)C(C)(C)CCCSCSCCCC(C)(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
ACLY P53396 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
PPARA Q07869 7/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
TTR P02766 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRA1A P35348 1/20 0.35
PPARG P37231 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
SCHEMBL6410664 0.87 CYP4F2 (0.62) CYP4F2CYP4A11THRBPKMPPARA
SCHEMBL5526952 0.85 ACLY (0.48) ACLYACACBACACATHRBPPARA
SCHEMBL9514301 0.81 CYP4F2 (0.65) CYP4F2CYP4A11THRBPKMPPARA
SCHEMBL15945347 0.80 CYP4F2 (0.64) CYP4F2CYP4A11THRBPKMPPARA
SCHEMBL9511919 0.79 CYP4F2 (0.54) CYP4F2CYP4A11THRBPKMPPARA
SCHEMBL8051223 0.79 CYP4F2 (0.57) CYP4F2CYP4A11ACLYACACBACACA
SCHEMBL3278285 0.78 CYP4F2 (0.60) CYP4F2CYP4A11ACLYACACBACACA
SCHEMBL2985354 0.78 CYP4F2 (0.60) CYP4F2CYP4A11ACLYACACBACACA
SCHEMBL3280400 0.78 CYP4F2 (0.56) CYP4F2CYP4A11ACLYACACBACACA
SCHEMBL6348466 0.77 ACLY (0.52) ACLYACACBACACATHRBPPARA

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
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-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 (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 CYP4F2 981/4885CYP4A11 132/4885ACLY 287/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS CYP4F2 955/4885CYP4A11 98/4885ACLY 266/4885

“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.