SCHEMBL6356323

SCHEMBL6356323

CC(CCCCSCCCCC(C)(CC(=O)O)c1ccccc1)(CC(=O)O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.64
HIF1A Q16665 1/20 0.64
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL6344082 0.95 CYP2C19 (0.66) CYP2C19HIF1AFFAR1CPT2TDP1
SCHEMBL6345377 0.92 CYP2C19 (0.54) CYP2C19HIF1AFFAR1CPT2TDP1
SCHEMBL6355404 0.92 CYP2C19 (0.54) CYP2C19HIF1AFFAR1CPT2TDP1
SCHEMBL6345369 0.88 CYP2C19 (0.57) CYP2C19HIF1AMAPTKMT2AKIF11
SCHEMBL6352024 0.88 CYP2C19 (0.50) CYP2C19HIF1ATDP1MAPTKMT2A
SCHEMBL6354078 0.86 CYP2C19 (0.49) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL6343818 0.83 CYP2C19 (0.51) CYP2C19HIF1ATDP1MAPTKMT2A
SCHEMBL3286672 0.83 CYP2C19 (0.66) CYP2C19HIF1AFFAR1CPT2TDP1
SCHEMBL6699596 0.82 CYP2C19 (0.45) CYP2C19HIF1AFFAR1ALDH1A1
SCHEMBL5528998 0.82 CYP2C19 (0.42) CYP2C19HIF1AMAPTKMT2AKIF11

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 1363/4885FFAR1 244/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS CYP2C19 893/4885HIF1A 1092/4885FFAR1 257/4885

“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.