SCHEMBL6508790

SCHEMBL6508790

CC(C)(CCSCCCSCCC(C)(C)COP(=O)(O)O)COP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 3/20 0.35
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
SMPD1 P17405 2/20 0.33
S1PR1 P21453 9/20 0.32
S1PR3 Q99500 9/20 0.32
S1PR4 O95977 5/20 0.32
S1PR5 Q9H228 5/20 0.32
S1PR2 O95136 2/20 0.31
GRM4 Q14833 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
SCHEMBL6348366 0.92 BHMT (0.37) BHMTLPAR3LPAR1LPAR2SMPD1
SCHEMBL6410122 0.89 S1PR1 (0.30) BHMTS1PR1S1PR3S1PR4S1PR5
SCHEMBL6354774 0.86 BHMT (0.33) BHMTSMPD1GRM4
SCHEMBL6354686 0.78 LPAR3 (0.37) BHMTLPAR3LPAR1LPAR2
SCHEMBL6344059 0.78 GRM4 (0.35) BHMTGRM4
SCHEMBL5974079 0.77 LPAR3 (0.39) LPAR3LPAR1LPAR2SMPD1S1PR1
SCHEMBL7157667 0.76 LPAR3 (0.42) LPAR3LPAR1LPAR2SMPD1S1PR1
SCHEMBL6518662 0.76 SMPD1 (0.38) SMPD1S1PR1S1PR3S1PR4S1PR2
SCHEMBL11078140 0.75 LPAR3 (0.47) LPAR3LPAR1LPAR2SMPD1S1PR1
SCHEMBL6257248 0.74 LPAR3 (0.37) LPAR3LPAR1LPAR2SMPD1S1PR1

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
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 BHMT 353/4885LPAR3 1589/4885LPAR1 1119/4885

“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.