SCHEMBL6354686

SCHEMBL6354686

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.37
LPAR2 Q9HBW0 6/20 0.37
LPAR1 Q92633 4/20 0.37
BHMT Q93088 3/20 0.35
MVD P53602 1/20 0.34
TPI1 P60174 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
SCHEMBL6345202 0.86 BHMT (0.33) BHMT
SCHEMBL6348366 0.85 BHMT (0.37) LPAR3LPAR2LPAR1BHMT
SCHEMBL21407715 0.79 LPAR3 (0.41) LPAR3LPAR2LPAR1TPI1
SCHEMBL6508790 0.78 BHMT (0.35) LPAR3LPAR2LPAR1BHMT
SCHEMBL9943661 0.76 LPAR3 (0.42) LPAR3LPAR2LPAR1TPI1
SCHEMBL11605559 0.76 LPAR3 (0.47) LPAR3LPAR2LPAR1TPI1
SCHEMBL13053716 0.74 LPAR3 (0.37) LPAR3LPAR2LPAR1
SCHEMBL3046776 0.74 LPAR3 (0.46) LPAR3LPAR2LPAR1
SCHEMBL6344059 0.74 GRM4 (0.35) BHMT
SCHEMBL3286679 0.74 LPAR3 (0.37) LPAR3LPAR2LPAR1MVDTPI1

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
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
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 LPAR3 1589/4885LPAR2 1633/4885LPAR1 1119/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS LPAR3 1587/4885LPAR2 1641/4885LPAR1 1114/4885

“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.