SCHEMBL6345455

SCHEMBL6345455

COC(=O)CC(C)(C)CCCSCCCSCCCC(C)(C)CC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 4/20 0.35
BHMT Q93088 3/20 0.35
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TET2 Q6N021 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
SCHEMBL11342528 0.98 FFAR1 (0.41) FFAR1CPT2TDP1TSHRBHMT
SCHEMBL6353014 0.93 BHMT (0.41) FFAR1CPT2TDP1TSHRBHMT
SCHEMBL6341309 0.85 BHMT (0.44) FFAR1CPT2TDP1TSHRBHMT
SCHEMBL27312675 0.79 FFAR1 (0.43) FFAR1CPT2TDP1TSHRRECQL
SCHEMBL6693300 0.79 TDP1 (0.65) FFAR1CPT2TDP1TSHRBHMT
SCHEMBL27403262 0.79 FFAR1 (0.43) FFAR1CPT2TDP1TSHRRECQL
SCHEMBL5830172 0.77 TSHR (0.43) FFAR1CPT2TDP1TSHRRECQL
SCHEMBL6346089 0.76 TDP1 (0.68) FFAR1CPT2TDP1TSHRBHMT
SCHEMBL3283751 0.76 TSHR (0.46) FFAR1CPT2TDP1TSHRRECQL
SCHEMBL6711879 0.76 FFAR1 (0.41) FFAR1CPT2TDP1TSHRRECQL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS FFAR1 257/4885CPT2 240/4885TDP1 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.