SCHEMBL5011536

SCHEMBL5011536

CCCCCCCCCCCCCC(=O)C(OP(=O)(O)O)(C(=O)CCCCCCCCCCCCC)[C@@H](O)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.44
ENPP2 Q13822 2/20 0.43
LPAR6 P43657 1/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR4 Q99677 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
FAAH O00519 7/20 0.41
CES1 P23141 5/20 0.41
CES2 O00748 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1700578 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL875712 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL1270224 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL29752854 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL7807533 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL4752182 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL9951538 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
Monoethanolamine SCHEMBL27957871 0.93 SMPD1 (0.41) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL190586 0.92 LPAR1 (0.49) ENPP2LPAR6LPAR1LPAR4LPAR5
SCHEMBL29910363 0.92 LPAR1 (0.49) ENPP2LPAR6LPAR1LPAR4LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070014842-A1 Pharmaceutical liposomal compositions ID BIOMEDICAL CORPORATION OF QUEBEC C.O.B. AS GLAXOSMITHKLINE BIOLOGICALS NORTH AMERICA (CA) 2007-01-18 US claimed
US-20070014841-A1 Pharmaceutical compositions ID BIOMEDICAL CORPORATION OF QUEBEC C.O.B. AS GLAXOSMITHKLINE BIOLOGICALS NORTH AMERICA (CA) 2007-01-18 US claimed
EP-1536831-A2 PHARMACEUTICAL LIPOSOMAL COMPOSITIONS CONTAINING N. MENINGITIDIS DERIVED POLYPEPTIDES OR POLYNUCLEOTIDES ID Biomedical Corporation (CA) 2005-06-08 EP claimed
US-20040132652-A1 Pharmaceutical compositions SHIRE BIOCHEM INC. (CA) 2004-07-08 US claimed
WO-2004019976-A2 PHARMACEUTICAL LIPOSOMAL COMPOSITIONS CONTAINING N. MENINGITIDIS DERIVED POLYPEPTIDES OR POLYNUCLEOTIDES ID BIOMEDICAL CORPORATION (CA) 2004-03-11 WO claimed
EP-1790659-B1 Polypeptides of pseudomonas aeruginosa ID BIOMEDICAL CORP (CA) 2013-07-31 EP disclosed
US-7459165-B2 Polypeptides of Pseudomonas aeruginosa ID BIOMEDICAL CORPORATION (CA) 2008-12-02 US disclosed
EP-1790659-A2 Polypeptides of pseudomonas aeruginosa ID Biomedical Corporation (CA) 2007-05-30 EP disclosed
US-20070014842-A1 Pharmaceutical liposomal compositions ID BIOMEDICAL CORPORATION OF QUEBEC C.O.B. AS GLAXOSMITHKLINE BIOLOGICALS NORTH AMERICA (CA) 2007-01-18 US disclosed
US-20070014841-A1 Pharmaceutical compositions ID BIOMEDICAL CORPORATION OF QUEBEC C.O.B. AS GLAXOSMITHKLINE BIOLOGICALS NORTH AMERICA (CA) 2007-01-18 US disclosed
EP-1536831-A2 PHARMACEUTICAL LIPOSOMAL COMPOSITIONS CONTAINING N. MENINGITIDIS DERIVED POLYPEPTIDES OR POLYNUCLEOTIDES ID Biomedical Corporation (CA) 2005-06-08 EP disclosed
US-20050107597-A1 Polypeptides of pseudomonas aeruginosa ID BIOMEDICAL CORPORATION (CA) 2005-05-19 US disclosed
US-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
EP-1458752-A2 POLYPEPTIDES OF PSEUDOMONAS AERUGINOSA Shire Biochem Inc. (CA) 2004-09-22 EP disclosed
US-20040132652-A1 Pharmaceutical compositions SHIRE BIOCHEM INC. (CA) 2004-07-08 US disclosed
WO-2004019976-A2 PHARMACEUTICAL LIPOSOMAL COMPOSITIONS CONTAINING N. MENINGITIDIS DERIVED POLYPEPTIDES OR POLYNUCLEOTIDES ID BIOMEDICAL CORPORATION (CA) 2004-03-11 WO disclosed
US-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 US disclosed
WO-2003042240-A2 POLYPEPTIDES OF PSEUDOMONAS AERUGINOSA SHIRE BIOCHEM INC. (CA) 2003-05-22 WO disclosed
EP-1246822-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001046177-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 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-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F SMPD1 4829/4885ENPP2 4531/4885LPAR6 4350/4885
US-20070014842-A1 Pharmaceutical liposomal compositions NGLY1, PHOSPHO1, LPXN SMPD1 6/4885ENPP2 38/4885LPAR6 228/4885

“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.