SCHEMBL6344402

SCHEMBL6344402

CC(C)(CCSCCSCCC(C)(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HTR2C P28335 1/20 0.40
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL6345166 0.94 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2ATDP1MAPK1
SCHEMBL6346285 0.90 CYP2C19 (0.46) ALDH1A1L3MBTL1KMT2ATDP1MAPK1
SCHEMBL7202669 0.88 PTGER1 (0.43) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL6342853 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2ATDP1MAPK1
SCHEMBL6352946 0.85 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2ATDP1MAPK1
SCHEMBL2152137 0.83 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2ATDP1MAPK1
SCHEMBL6393090 0.83 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2ATDP1MAPK1
SCHEMBL20564956 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2ATDP1MAPK1
SCHEMBL25576433 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2ATDP1MAPK1
Hydrochloric Acid SCHEMBL25212066 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2ATDP1MAPK1

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
US-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 US 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 ALDH1A1 2827/4885L3MBTL1 3636/4885KMT2A 3706/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS ALDH1A1 2643/4885L3MBTL1 3599/4885KMT2A 3715/4885

“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.