SCHEMBL6345536

SCHEMBL6345536

CC(C)(CCCO)CCCCSCCCCC(C)(C)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.42
FFAR1 O14842 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CPT2 P23786 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
BHMT Q93088 5/20 0.37
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.34
CYP4F2 P78329 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
SCHEMBL6353011 0.98 FFAR1 (0.44) TBXAS1FFAR1TDP1CPT2GPR84
SCHEMBL6345219 0.95 FFAR1 (0.42) TBXAS1FFAR1TDP1CPT2GPR84
SCHEMBL6347243 0.87 TSHR (0.47) TBXAS1FFAR1TDP1CPT2TSHR
SCHEMBL6695817 0.87 GPR84 (0.54) TBXAS1FFAR1TDP1CPT2GPR84
SCHEMBL6696708 0.87 GPR84 (0.54) TBXAS1FFAR1TDP1CPT2GPR84
SCHEMBL6343345 0.86 TDP1 (0.60) TBXAS1FFAR1TDP1CPT2TSHR
SCHEMBL6341205 0.83 CYP4F2 (0.37) FFAR1TDP1CPT2TSHRHSD17B10
SCHEMBL3278697 0.82 GPR84 (0.48) TBXAS1FFAR1TDP1CPT2GPR84
SCHEMBL6344172 0.81 CYP4F2 (0.32) FFAR1TDP1CPT2CYP4F2CYP4A11
SCHEMBL3281071 0.81 GPR84 (0.52) TBXAS1FFAR1TDP1CPT2GPR84

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 8 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
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 TBXAS1 398/4885FFAR1 244/4885TDP1 3733/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS TBXAS1 294/4885FFAR1 257/4885TDP1 3708/4885

“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.