SCHEMBL6694650

SCHEMBL6694650

CC(C)(CCCC[S+]([O-])CCCCC(C)(C)OP(N)(=O)OC(C)(C)CCCC[S+]([O-])CCCCC(C)(C)OP(N)(=O)O)OP(N)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.31
GRM4 Q14833 1/20 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
SCHEMBL6505637 0.95 GRM4 (0.31) GRM4
SCHEMBL6690646 0.95 SMPD1 (0.33) SMPD1GRM4
SCHEMBL6698353 0.94 GRM4 (0.30) GRM4
SCHEMBL6893072 0.91
SCHEMBL6709822 0.91 GRM4 (0.33) SMPD1GRM4
SCHEMBL6502059 0.89 GRM4 (0.32) SMPD1GRM4
SCHEMBL6708693 0.86 SMPD1 (0.30) SMPD1
SCHEMBL6702353 0.82 GRM4 (0.31) GRM4
SCHEMBL6503879 0.82 SMPD1 (0.40) SMPD1GRM4
SCHEMBL6504573 0.81 SMPD1 (0.42) SMPD1

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-2004531459-A 2004-10-14 JP claimed
US-20040122091-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-06-24 US claimed
EP-1366024-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-12-03 EP claimed
WO-2002030882-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
US-6673780-B2 SUCH AS 4-(4-(3-HYDROXY-3-METHYL-BUTANE-1-SULFINYLMETHYL)-PHENYLMETHANESULFINYL)-2 -METHYL-BUTAN1-OL FOR TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, DYSPROTEINEMIAS, AND GLUCOSE METABOLISM DISORDERS ESPERION THERAPEUTICS, INC. 2004-01-06 US disclosed
EP-1366024-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-12-03 EP disclosed
WO-2002030882-A9 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed
WO-2002030882-A2 SULFOXIDE AND BIS-SULFOXIDE 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-20040122091-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB SMPD1 680/4885GRM4 755/4885

“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.