SCHEMBL6345204

SCHEMBL6345204

CC(C)(CCCCCSCCCCCC(C)(C)OP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.44
GGPS1 O95749 6/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
FDPS P14324 9/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
GRM4 Q14833 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6354681 0.98 SMPD1 (0.42) SMPD1GGPS1S1PR2S1PR4S1PR1
SCHEMBL6356292 0.91 SMPD1 (0.38) SMPD1S1PR2S1PR4S1PR1S1PR3
SCHEMBL13095381 0.88 SMPD1 (0.53) SMPD1GGPS1S1PR2S1PR4S1PR1
SCHEMBL6518662 0.87 SMPD1 (0.38) SMPD1S1PR2S1PR4S1PR1S1PR3
SCHEMBL6346290 0.84 SMPD1 (0.35) SMPD1FDPSGRM4
SCHEMBL6346076 0.82 SMPD1 (0.36) SMPD1GRM4
SCHEMBL14671500 0.81 SMPD1 (0.67) SMPD1GGPS1FDPSLPAR1LPAR3
SCHEMBL9660425 0.81 SMPD1 (0.67) SMPD1GGPS1FDPSLPAR1LPAR3
SCHEMBL13896287 0.81 SMPD1 (0.67) SMPD1GGPS1FDPSLPAR1LPAR3
SCHEMBL28466128 0.81 SMPD1 (0.67) SMPD1GGPS1FDPSLPAR1LPAR3

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 6 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

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 SMPD1 221/4885GGPS1 305/4885S1PR2 818/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS SMPD1 278/4885GGPS1 284/4885S1PR2 1004/4885

“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.