SCHEMBL6353040

SCHEMBL6353040

CC(CO)(CCCCCSCCCCCC(C)(CO)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
CHRM5 P08912 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
RIPK1 Q13546 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KIF11 P52732 2/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL5528998 0.98 CYP2C19 (0.42) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL5523481 0.93 CYP2C19 (0.43) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL6429619 0.92 CYP2C19 (0.38) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL6352901 0.89 CYP2C19 (0.40) CYP2C19HIF1AKIF11MAPTKMT2A
SCHEMBL6346489 0.89 CYP2C19 (0.40) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL6351858 0.89 CYP2C19 (0.40) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL6343459 0.87 CYP2C19 (0.41) CYP2C19HIF1ASMN1; SMN2KIF11MAPT
SCHEMBL6344497 0.87 CYP2C19 (0.41) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL6348374 0.87 CYP2C19 (0.41) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL6354078 0.83 CYP2C19 (0.49) CYP2C19HIF1AALDH1A1ESR1ESR2

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 9 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
WO-2005068418-A1 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
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 CYP2C19 1060/4885HIF1A 1363/4885SIGMAR1 1000/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS CYP2C19 893/4885HIF1A 1092/4885SIGMAR1 1172/4885

“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.