SCHEMBL6529905

SCHEMBL6529905

CC(CCCCSCCCCC(C)(c1ccccc1)C1CC(=O)O1)(c1ccccc1)C1CC(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3279867 0.83 CYP2C19 (0.36) CYP2C19HIF1AUSP2ALDH1A1HPGD
SCHEMBL12092709 0.82 ACACB (0.37) CYP2C19HIF1AUSP2
SCHEMBL6694417 0.82
SCHEMBL6343528 0.78 SMN1; SMN2 (0.34)
SCHEMBL6345890 0.78 AKR1B1 (0.33)
SCHEMBL17307511 0.76 ACACB (0.33) CYP2C19HIF1AUSP2HSD17B10
SCHEMBL6510631 0.75 LMNA (0.33) CYP2C19HIF1A
SCHEMBL13406805 0.71 PTGER4 (0.30)
SCHEMBL3280163 0.69 PTGER3 (0.33) CYP2C19HIF1A
SCHEMBL12092713 0.69 ACACB (0.35) CYP2C19HIF1AUSP2HSD17B10

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
WO-2005068418-A1 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO 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 (1 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 GRM2 819/4885CYP2C19 1060/4885HIF1A 1363/4885

“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.