SCHEMBL6352901

SCHEMBL6352901

CC(CO)(CCCCCSCCCCCC(C)(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KIF11 P52732 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
SCHEMBL6343459 0.99 CYP2C19 (0.41) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL6354397 0.95 CYP2C19 (0.41) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL6355387 0.90 CYP2C19 (0.40) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL6353040 0.89 CYP2C19 (0.41) CYP2C19HIF1AMAPTKMT2AKIF11
SCHEMBL5527009 0.89 CYP2C19 (0.41) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL5528998 0.87 CYP2C19 (0.42) CYP2C19HIF1AMAPTKMT2AKIF11
SCHEMBL3281050 0.85 CYP2C19 (0.41) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL6355440 0.84 CYP2C19 (0.42) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL3286984 0.84 CYP2C19 (0.41) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL19159829 0.83 ACACB (0.47) CYP2C19HIF1ACYP1A2CYP2D6KIF11

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 CYP2C19 1060/4885HIF1A 1363/4885CYP1A2 969/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS CYP2C19 893/4885HIF1A 1092/4885CYP1A2 911/4885

“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.