SCHEMBL6355506

SCHEMBL6355506

CC(C)(CCSCCSCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
BHMT Q93088 3/20 0.38
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 4/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARA Q07869 4/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TBXAS1 P24557 2/20 0.33
TTR P02766 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C8 P10632 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL5539412 0.91 ACLY (0.45) ACLYACACBACACABHMTTDP1
SCHEMBL5529300 0.86 ACLY (0.50) ACLYACACBACACATDP1HSD17B10
SCHEMBL6348466 0.83 ACLY (0.52) ACLYACACBACACATDP1LMNA
SCHEMBL6352958 0.81 ACLY (0.55) ACLYACACBACACATDP1HSD17B10
SCHEMBL6343334 0.81 ACLY (0.50) ACLYACACBACACATDP1HSD17B10
SCHEMBL6354018 0.79 ACLY (0.59) ACLYACACBACACATDP1HSD17B10
SCHEMBL320771 0.78 ACLY (0.54) ACLYACACBACACATDP1TSHR
SCHEMBL6700093 0.78 CYP2C19 (0.46) LMNAKMT2AALDH1A1PPARACYP2D6
SCHEMBL6344088 0.75 DGAT1 (0.35) BHMTTSHR
SCHEMBL5526952 0.75 ACLY (0.48) ACLYACACBACACATDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004532799-A 2004-10-28 JP 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
CN-101426763-A Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2009-05-06 CN 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
EP-1363879-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-11-26 EP 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 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.