SCHEMBL6345219

SCHEMBL6345219

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.42
GPR84 Q9NQS5 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
TSHR P16473 2/20 0.41
TBXAS1 P24557 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
CPT2 P23786 1/20 0.38
PTGS1 P23219 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.34
BHMT Q93088 5/20 0.34
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G4B P0C869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL6345536 0.95 TBXAS1 (0.42) FFAR1GPR84FFAR4TSHRTBXAS1
SCHEMBL6353011 0.93 FFAR1 (0.44) FFAR1GPR84FFAR4TSHRTBXAS1
SCHEMBL6347243 0.93 TSHR (0.47) FFAR1TSHRTBXAS1TDP1LMNA
SCHEMBL6695817 0.85 GPR84 (0.54) FFAR1GPR84FFAR4TSHRTBXAS1
SCHEMBL6696708 0.85 GPR84 (0.54) FFAR1GPR84FFAR4TSHRTBXAS1
SCHEMBL6351820 0.84 TDP1 (0.36) FFAR1TSHRTDP1LMNAKMT2A
SCHEMBL3281345 0.81 FFAR1 (0.45) FFAR1GPR84FFAR4TBXAS1TDP1
SCHEMBL6343345 0.81 TDP1 (0.60) FFAR1TSHRTBXAS1TDP1LMNA
SCHEMBL3278697 0.80 GPR84 (0.48) FFAR1GPR84FFAR4TSHRTBXAS1
SCHEMBL6345402 0.79 KMT2A (0.48) FFAR1TSHRTBXAS1TDP1LMNA

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 FFAR1 244/4885GPR84 548/4885FFAR4 436/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS FFAR1 257/4885GPR84 483/4885FFAR4 457/4885

“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.