SCHEMBL6410122

SCHEMBL6410122

CC(C)(CCSCCCSCCC(C)(C)COP(=O)(O)O)CO[PH](=O)OCC(C)(C)CCSCCCSCCC(C)(C)COP(=O)(O)O

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.30
S1PR3 Q99500 4/20 0.30
S1PR4 O95977 2/20 0.30
S1PR5 Q9H228 2/20 0.30
BHMT Q93088 3/20 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 0.89 BHMT (0.35) S1PR1S1PR3S1PR4S1PR5BHMT
SCHEMBL6348366 0.82 BHMT (0.37) S1PR1S1PR3S1PR4S1PR5BHMT
SCHEMBL6354774 0.76 BHMT (0.33) BHMT
SCHEMBL6527718 0.70 FFAR1 (0.32) S1PR1S1PR3S1PR4S1PR5
SCHEMBL6354686 0.69 LPAR3 (0.37) BHMT
SCHEMBL6344059 0.69 GRM4 (0.35) BHMT
SCHEMBL5974079 0.69 LPAR3 (0.39) S1PR1S1PR3S1PR4S1PR5
SCHEMBL7157667 0.68 LPAR3 (0.42) S1PR1S1PR3S1PR4S1PR5
SCHEMBL6518662 0.67 SMPD1 (0.38) S1PR1S1PR3S1PR4
SCHEMBL11078140 0.67 LPAR3 (0.47) S1PR1S1PR3S1PR4S1PR5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS S1PR1 671/4885S1PR3 1002/4885S1PR4 1110/4885

“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.