SCHEMBL6348366

SCHEMBL6348366

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 3/20 0.37
GRM4 Q14833 1/20 0.33
S1PR1 P21453 9/20 0.32
S1PR3 Q99500 9/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
S1PR4 O95977 5/20 0.31
S1PR5 Q9H228 5/20 0.31
SMPD1 P17405 2/20 0.31
FBP1 P09467 1/20 0.31
S1PR2 O95136 2/20 0.30

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
SCHEMBL6508790 0.92 BHMT (0.35) BHMTGRM4S1PR1S1PR3LPAR3
SCHEMBL6344059 0.85 GRM4 (0.35) BHMTGRM4
SCHEMBL6354686 0.85 LPAR3 (0.37) BHMTLPAR3LPAR1LPAR2
SCHEMBL6410122 0.82 S1PR1 (0.30) BHMTS1PR1S1PR3S1PR4S1PR5
SCHEMBL5974079 0.80 LPAR3 (0.39) GRM4S1PR1S1PR3LPAR3LPAR1
SCHEMBL7157667 0.79 LPAR3 (0.42) GRM4S1PR1S1PR3LPAR3LPAR1
SCHEMBL6354774 0.78 BHMT (0.33) BHMTGRM4SMPD1
SCHEMBL7158770 0.76 LPAR3 (0.41) GRM4S1PR1S1PR3LPAR3LPAR1
SCHEMBL6257990 0.76 TPI1 (0.36) GRM4S1PR1S1PR3LPAR3LPAR1
SCHEMBL6262488 0.74 PGK1 (0.34) GRM4S1PR1S1PR3LPAR3LPAR1

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 7 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
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 BHMT 353/4885GRM4 897/4885S1PR1 556/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS BHMT 396/4885GRM4 770/4885S1PR1 671/4885

“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.