SCHEMBL3046897

SCHEMBL3046897

CC(C)(CCCCCO)CCCCOCCCCC(C)(C)CCS(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
ARG1 P05089 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3040749 0.98 CYP4F2 (0.39) GAACYP4F2CYP4A11MEN1THRB
SCHEMBL3035020 0.98 CYP4F2 (0.39) GAACYP4F2CYP4A11MEN1THRB
SCHEMBL3046417 0.94 GAA (0.38) GAACYP4F2CYP4A11MEN1THRB
SCHEMBL3044710 0.94 GAA (0.38) GAACYP4F2CYP4A11MEN1THRB
SCHEMBL3045041 0.92 CYP4F2 (0.39) GAACYP4F2CYP4A11MEN1THRB
SCHEMBL3047293 0.90 ARG1 (0.33) ARG1
SCHEMBL3039608 0.88 GAA (0.38) GAACYP4F2CYP4A11MEN1THRB
SCHEMBL3041611 0.87 ARG1 (0.31) ARG1
SCHEMBL3050789 0.87 ARG1 (0.31) ARG1
SCHEMBL3046376 0.86 CYP4F2 (0.39) GAACYP4F2CYP4A11MEN1THRB

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 GAA 968/4885CYP4F2 483/4885CYP4A11 35/4885
US-20030065195-A1 Ether compounds GPR119, PPARG, PNLIP GAA 1164/4885CYP4F2 715/4885CYP4A11 93/4885
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders GPR119, NR1H2, PC GAA 737/4885CYP4F2 527/4885CYP4A11 105/4885
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP GAA 968/4885CYP4F2 483/4885CYP4A11 35/4885
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP GAA 968/4885CYP4F2 483/4885CYP4A11 35/4885

“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.