SCHEMBL6345402

SCHEMBL6345402

CC(C)(CCSCCSCCC(C)(C)CCC(=O)O)CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
BHMT Q93088 3/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.39
TSHR P16473 3/20 0.39
TBXAS1 P24557 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
CHEK1 O14757 1/20 0.34
FYN P06241 1/20 0.34
PDGFRB P09619 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
SCHEMBL6347243 0.85 TSHR (0.47) KMT2ATDP1LMNAHSD17B10BHMT
SCHEMBL11529406 0.83 NAALAD2 (0.50) KMT2ATDP1LMNAHSD17B10NAALAD2
SCHEMBL6345430 0.82 BHMT (0.35) KMT2ATDP1LMNAHSD17B10BHMT
SCHEMBL18844663 0.82 TDP1 (0.54) KMT2ATDP1LMNAHSD17B10BHMT
Hydrochloric Acid SCHEMBL31279551 0.81 NAALAD2 (0.48) KMT2ATDP1LMNAHSD17B10NAALAD2
SCHEMBL6353309 0.80 BHMT (0.66) KMT2ATDP1LMNAHSD17B10BHMT
SCHEMBL6345219 0.79 FFAR1 (0.42) KMT2ATDP1LMNAHSD17B10BHMT
SCHEMBL6353008 0.78 TSHR (0.44) KMT2ALMNAHSD17B10BHMTTSHR
SCHEMBL6343345 0.77 TDP1 (0.60) KMT2ATDP1LMNAHSD17B10BHMT
SCHEMBL6345536 0.77 TBXAS1 (0.42) KMT2ATDP1LMNAHSD17B10BHMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004532799-A 2004-10-28 JP 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 KMT2A 3706/4885TDP1 3733/4885LMNA 4697/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS KMT2A 3715/4885TDP1 3708/4885LMNA 4658/4885

“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.