SCHEMBL6346152

SCHEMBL6346152

CC(C)(CCSCCSCCC(C)(C)CCC(=O)Oc1ccccc1)CCC(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 2/20 0.38
ELANE P08246 2/20 0.38
CYP19A1 P11511 1/20 0.38
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6345423 0.87 BHMT (0.39) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL3287014 0.83 KMT2A (0.43) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL28358799 0.81 KMT2A (0.44) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL6346856 0.80 ALDH1A1 (0.47) KMT2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL13053709 0.79 L3MBTL1 (0.41) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL2289608 0.79 KMT2A (0.48) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL10568529 0.79 PRSS1 (0.49) KMT2AALDH1A1MAPTLMNAHTT
Ammonia Solution, Strong SCHEMBL28033405 0.78 KMT2A (0.47) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL11086910 0.77 PRSS1 (0.47) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL6690011 0.77 KMT2A (0.39) KMT2AALDH1A1MAPTLMNAHTT

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
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
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 (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 3706/4885ALDH1A1 2827/4885MAPT 940/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS KMT2A 3715/4885ALDH1A1 2643/4885MAPT 1006/4885

“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.