SCHEMBL6689309

SCHEMBL6689309

COC(=O)C(C)(C)CCSCc1ccc(CSCCC(C)(C)C(=O)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6700093 0.81 CYP2C19 (0.46) ALDH1A1LMNASMN1; SMN2CYP2C19PPARG
SCHEMBL6346577 0.80 ELANE (0.44) ALDH1A1LMNASMN1; SMN2CYP2C19PPARG
SCHEMBL6344088 0.80 DGAT1 (0.35)
SCHEMBL6346285 0.79 CYP2C19 (0.46) ALDH1A1LMNASMN1; SMN2CYP2C19PPARG
SCHEMBL6346206 0.77 CYP4F2 (0.34)
SCHEMBL4467926 0.76 LMNA (0.55) ALDH1A1LMNASMN1; SMN2CYP2C19MAPT
SCHEMBL6342775 0.76 HPGD (0.44) ALDH1A1LMNASMN1; SMN2CYP2C19HPGD
SCHEMBL7202669 0.75 PTGER1 (0.43) ALDH1A1LMNASMN1; SMN2CYP2C19PPARG
SCHEMBL11509018 0.72 PTPRB (0.47)
SCHEMBL6346691 0.72 CA2 (0.39) ALDH1A1LMNACYP2C19RECQLGAA

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
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
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 ALDH1A1 2827/4885LMNA 4697/4885SMN1; SMN2 1383/4885

“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.