SCHEMBL6257901

SCHEMBL6257901

CC(C)(CCOCc1ccc(COCCC(C)(C)OP(=O)(O)O)cc1)OP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 3/20 0.46
PTPN1 P18031 3/20 0.46
PTPN6 P29350 3/20 0.46
S1PR1 P21453 6/20 0.39
S1PR3 Q99500 6/20 0.39
S1PR4 O95977 3/20 0.39
S1PR2 O95136 1/20 0.39
PTPRC P08575 2/20 0.33
PTPRB P23467 2/20 0.33
PTPN11 Q06124 2/20 0.33
CDC25A P30304 1/20 0.33
TSHR P16473 1/20 0.33
S1PR5 Q9H228 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PDPK1 O15530 1/20 0.32
MTOR P42345 1/20 0.32
AKR1C3 P42330 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL6257928 0.80 SMPD1 (0.37)
SCHEMBL6259130 0.77 SMPD1 (0.39) S1PR1S1PR3S1PR4S1PR2TSHR
SCHEMBL6719162 0.75 SMPD1 (0.34)
SCHEMBL7161851 0.72 SMPD1 (0.33)
SCHEMBL6258960 0.72 PTPN2 (0.40) PTPN2PTPN1PTPN6TSHRALDH1A1
SCHEMBL6345298 0.72 LMNA (0.38) S1PR1S1PR3S1PR4S1PR2ALDH1A1
SCHEMBL5362490 0.72 S1PR2 (0.38) S1PR1S1PR3S1PR4S1PR2L3MBTL1
SCHEMBL22667771 0.72 TSHR (0.39) PTPN2PTPN1PTPN6TSHRL3MBTL1
SCHEMBL6344406 0.71 CA2 (0.43) S1PR1S1PR3S1PR4S1PR2ALDH1A1
SCHEMBL13053745 0.71 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO claimed
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-09-30 US claimed
JP-2004529069-A 2004-09-24 JP claimed
EP-1351916-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-10-15 EP claimed
US-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-23 US claimed
WO-2002030863-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
US-6713507-B2 CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; ALZHEIMER'S DISEASE ESPERION THERAPEUTICS, INC. 2004-03-30 US disclosed
EP-1351916-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-10-15 EP disclosed
WO-2002030863-A2 ETHER 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-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 PTPN2 903/4885PTPN1 681/4885PTPN6 804/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 PTPN2 903/4885PTPN1 681/4885PTPN6 804/4885

“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.