SCHEMBL6354484

SCHEMBL6354484

CC(C)(CCCSCCCSCCCC(C)(C)C(=O)Oc1ccccc1)CC(=O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.39
PPARA Q07869 4/20 0.38
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 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
SCHEMBL6346006 0.93 ELANE (0.39) ELANEPPARAATML3MBTL1CYP19A1
SCHEMBL6347057 0.92 L3MBTL1 (0.37) ELANEPPARAATML3MBTL1CYP19A1
SCHEMBL6344067 0.84 ELANE (0.47) ELANEPPARAATML3MBTL1MAPT
SCHEMBL3284016 0.84 ELANE (0.40) ELANEPPARAATML3MBTL1CYP19A1
SCHEMBL6182133 0.83 ELANE (0.39) ELANEPPARAATML3MBTL1CYP19A1
SCHEMBL6345423 0.82 BHMT (0.39) ELANEPPARAATML3MBTL1CYP19A1
SCHEMBL6699922 0.81 ELANE (0.38) ELANEPPARAATML3MBTL1CYP19A1
SCHEMBL3286486 0.79 ELANE (0.40) ELANEPPARAATML3MBTL1CYP19A1
SCHEMBL6344409 0.79 ALDH1A1 (0.40) PPARAL3MBTL1ALDH1A1LMNARAB9A
SCHEMBL6346743 0.79 ELANE (0.49) ELANEPPARAATML3MBTL1PRSS1

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 ELANE 601/4885PPARA 62/4885ATM 421/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS ELANE 779/4885PPARA 56/4885ATM 431/4885

“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.