SCHEMBL6694592

SCHEMBL6694592

CC(C)(CCC(=O)OCc1ccccc1)CC[S+]([O-])CC[S+]([O-])CCC(C)(C)CCC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
HCAR2 Q8TDS4 1/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
NOTUM Q6P988 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6697288 0.88 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL31565173 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL29200278 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL3279769 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL21625336 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL6533639 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL21415440 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL31565177 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL6346856 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL13744472 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2

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-2004531459-A 2004-10-14 JP claimed
US-20040122091-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-06-24 US claimed
US-6673780-B2 SUCH AS 4-(4-(3-HYDROXY-3-METHYL-BUTANE-1-SULFINYLMETHYL)-PHENYLMETHANESULFINYL)-2 -METHYL-BUTAN1-OL FOR TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, DYSPROTEINEMIAS, AND GLUCOSE METABOLISM DISORDERS ESPERION THERAPEUTICS, INC. 2004-01-06 US claimed
EP-1366024-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-12-03 EP claimed
WO-2002030882-A9 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO claimed
US-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-30 US claimed
WO-2002030882-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
CN-1479721-A Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol therapy and related applications ͨ��ҽ�ƹ�˾ 2004-03-03 CN 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-20040122091-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB ALDH1A1 3113/4885MAPK1 2647/4885L3MBTL1 2056/4885
US-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB ALDH1A1 3113/4885MAPK1 2647/4885L3MBTL1 2056/4885

“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.