SCHEMBL6344172

SCHEMBL6344172

CC(C)(CCO)CCCCSCCCCC(C)(C)CCCO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
FFAR1 O14842 1/20 0.31
CPT2 P23786 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
SCHEMBL6344617 0.96 TDP1 (0.35) TDP1FFAR1CPT2
SCHEMBL6341205 0.93 CYP4F2 (0.37) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL6352910 0.93 TDP1 (0.37) TDP1FFAR1CPT2
SCHEMBL6351820 0.89 TDP1 (0.36) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL6353314 0.89 TDP1 (0.36) TDP1FFAR1CPT2
SCHEMBL6348361 0.86 TDP1 (0.35) TDP1
SCHEMBL12506171 0.86 CYP4F2 (0.39) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL27902784 0.84 TDP1 (0.42) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL5184081 0.83 SMN1; SMN2 (0.40) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL6347060 0.82 TDP1 (0.35) TDP1

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 8 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
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 CYP4F2 981/4885CYP4A11 132/4885TDP1 3733/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS CYP4F2 955/4885CYP4A11 98/4885TDP1 3708/4885

“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.