SCHEMBL3043293

SCHEMBL3043293

CC(C)(CCCCOCCCCC(C)(C)CCCCS(N)(=O)=O)CCCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.36
FFAR1 O14842 2/20 0.36
CPT2 P23786 1/20 0.36
TBXAS1 P24557 3/20 0.33
ARG1 P05089 1/20 0.33
TSHR P16473 5/20 0.33
LMNA P02545 2/20 0.32
NFKB1 P19838 2/20 0.32
AKR1B1 P15121 1/20 0.32
CYP2D6 P10635 1/20 0.32
PLA2G4B P0C869 1/20 0.32
PMP22 Q01453 1/20 0.31
PPARG P37231 4/20 0.31
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
GPR84 Q9NQS5 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 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
SCHEMBL3043244 0.97 FFAR1 (0.36) ALDH1A1TDP1FFAR1CPT2TBXAS1
SCHEMBL3047320 0.94 TBXAS1 (0.38) ALDH1A1TDP1FFAR1CPT2TBXAS1
SCHEMBL3045530 0.94 FFAR1 (0.36) ALDH1A1TDP1FFAR1CPT2TBXAS1
SCHEMBL3041593 0.91 TBXAS1 (0.38) ALDH1A1TDP1FFAR1CPT2TBXAS1
SCHEMBL3045997 0.88 FFAR1 (0.51) TDP1FFAR1CPT2ARG1
SCHEMBL3041305 0.88 TBXAS1 (0.38) ALDH1A1TDP1FFAR1CPT2TBXAS1
SCHEMBL13095193 0.87 CA2 (0.32)
SCHEMBL3050858 0.86 CA2 (0.31)
SCHEMBL3041311 0.86 ALDH1A1 (0.37) ALDH1A1TDP1FFAR1ARG1TSHR
SCHEMBL3043089 0.85 FFAR1 (0.51) TDP1FFAR1CPT2ARG1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 US claimed
US-7709515-B2 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. (US) 2010-05-04 US claimed
EP-1862444-A2 Ether compounds, compositions, and uses thereof Esperion Therapeutics, Inc. (US) 2007-12-05 EP claimed
EP-1849760-A1 Ether compounds, compositions, and uses thereof Esperion Therapeutics Inc. (US) 2007-10-31 EP claimed
US-7192940-B2 Ether compounds ESPERION THERAPEUTICS, INC. (US) 2007-03-20 US claimed
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. 2005-06-02 US claimed
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders ESPERION THERAPEUTICS, INC. 2005-01-06 US claimed
US-6831105-B2 For therapy and prophylaxis of cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders ESPERION THERAPEUTICS, INC. 2004-12-14 US claimed
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. 2003-08-07 US claimed
EP-1204626-A4 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS INC (US) 2003-05-07 EP claimed
US-20030065195-A1 Ether compounds ESPERION THERAPEUTICS, INC. 2003-04-03 US claimed
US-6506799-B1 Treating or preventing a cardiovascular disease in a patient, comprising administering to a patient in need of such treatment or prevention a therapeutically effective amount of 6-(6-hydroxy-5,5-dimethylhexyloxy)-2,2-dimethyl-hexan-1-ol and ESPERION THERAPEUTICS, INC. 2003-01-14 US claimed
JP-2002541129-A 2002-12-03 JP claimed
US-6459003-B1 ETHER COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, METABOLISM DISORDERS AND CHOLESTEROL DISORDERS ESPERION THERAPEUTICS, INC. 2002-10-01 US claimed
EP-1204626-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF Esperion Therapeutics Inc. (US) 2002-05-15 EP claimed
WO-2000059855-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS, INC. (US) 2000-10-12 WO claimed
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 US disclosed
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 US disclosed
US-20030065195-A1 Ether compounds ESPERION THERAPEUTICS, INC. 2003-04-03 US disclosed
US-6506799-B1 Treating or preventing a cardiovascular disease in a patient, comprising administering to a patient in need of such treatment or prevention a therapeutically effective amount of 6-(6-hydroxy-5,5-dimethylhexyloxy)-2,2-dimethyl-hexan-1-ol and ESPERION THERAPEUTICS, INC. 2003-01-14 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 (5 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-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR GPR119, ECHS1, PNLIP ALDH1A1 2677/4885TDP1 1713/4885FFAR1 43/4885
US-20030065195-A1 Ether compounds GPR119, PPARG, PNLIP ALDH1A1 3016/4885TDP1 1741/4885FFAR1 92/4885
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders GPR119, NR1H2, PC ALDH1A1 2245/4885TDP1 1397/4885FFAR1 95/4885
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP ALDH1A1 2677/4885TDP1 1713/4885FFAR1 43/4885
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP ALDH1A1 2677/4885TDP1 1713/4885FFAR1 43/4885

“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.