SCHEMBL6345550

SCHEMBL6345550

CC(C)(CCC(=S)CCC(=S)CCC(C)(C)Cc1cocc(O)c1=O)Cc1cc(=O)c(O)co1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYR P14679 6/20 0.40
DAO P14920 3/20 0.40
KDM4E B2RXH2 1/20 0.40
IDH1 O75874 1/20 0.34

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
SCHEMBL3285645 0.88 TYR (0.40) TYRDAOKDM4EIDH1
SCHEMBL6345629 0.87 TYR (0.38) TYRDAOKDM4EIDH1
SCHEMBL6347086 0.87
SCHEMBL3280194 0.86 TYR (0.39) TYRDAOKDM4E
SCHEMBL6345552 0.83 DAO (0.40) TYRDAOKDM4EIDH1
SCHEMBL3279862 0.83 TYR (0.39) TYRDAOKDM4E
SCHEMBL10262590 0.83 TYR (0.40) TYRDAOKDM4EIDH1
SCHEMBL6396530 0.82 TYR (0.36) TYRDAOKDM4E
SCHEMBL6344628 0.81 TYR (0.46) TYRDAOKDM4E
SCHEMBL6708527 0.81 TYR (0.39) TYRDAOKDM4EIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 US 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 TYR 3568/4885DAO 2334/4885KDM4E 3812/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS TYR 3444/4885DAO 2262/4885KDM4E 3744/4885

“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.