SCHEMBL3047320

SCHEMBL3047320

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.38
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ARG1 P05089 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR4 O95977 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3041593 0.97 TBXAS1 (0.38) TBXAS1FFAR1CPT2TDP1ARG1
SCHEMBL3043293 0.94 ALDH1A1 (0.39) TBXAS1FFAR1CPT2TDP1ARG1
SCHEMBL3043244 0.94 FFAR1 (0.36) TBXAS1FFAR1CPT2TDP1ARG1
SCHEMBL3041305 0.94 TBXAS1 (0.38) TBXAS1FFAR1CPT2TDP1ARG1
SCHEMBL3045530 0.91 FFAR1 (0.36) TBXAS1FFAR1CPT2TDP1ARG1
SCHEMBL3045997 0.88 FFAR1 (0.51) FFAR1CPT2TDP1ARG1CYP4F2
SCHEMBL13095193 0.87 CA2 (0.32)
SCHEMBL3050858 0.86 CA2 (0.31)
SCHEMBL6267147 0.86 FFAR1 (0.47) TBXAS1FFAR1CPT2TDP1ALDH1A1
SCHEMBL5496311 0.85 TBXAS1 (0.32) TBXAS1

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 30 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
EP-1204626-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF Esperion Therapeutics Inc. (US) 2002-05-15 EP disclosed
WO-2000059855-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS, INC. (US) 2000-10-12 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 (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 TBXAS1 250/4885FFAR1 43/4885CPT2 93/4885
US-20030065195-A1 Ether compounds GPR119, PPARG, PNLIP TBXAS1 475/4885FFAR1 92/4885CPT2 46/4885
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders GPR119, NR1H2, PC TBXAS1 466/4885FFAR1 95/4885CPT2 30/4885
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP TBXAS1 250/4885FFAR1 43/4885CPT2 93/4885
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP TBXAS1 250/4885FFAR1 43/4885CPT2 93/4885

“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.