SCHEMBL4952105

SCHEMBL4952105

O=C(O)c1ccc(CN(CCOc2ccc(C(=O)O)cc2)CCc2ccccc2OCCCCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.56
PTGER1 P34995 1/20 0.54
PTGER4 P35408 1/20 0.54
PTGER3 P43115 1/20 0.54
PTGER2 P43116 1/20 0.54
LPAR1 Q92633 7/20 0.49
LPAR5 Q9H1C0 7/20 0.49
FFAR1 O14842 1/20 0.47
BCHE P06276 3/20 0.47
ACHE P22303 3/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
PLA2G4A P47712 1/20 0.46
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL13009800 0.91 TP53 (0.55) PLA2G4BLPAR1LPAR5BCHEACHE
SCHEMBL13009717 0.89 PTGER1 (0.55) PLA2G4BPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009704 0.88 PTGER1 (0.54) PLA2G4BPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009710 0.87 PTGER1 (0.53) PLA2G4BPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009624 0.87 PTGER1 (0.53) PLA2G4BPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009525 0.87 PTGER1 (0.53) PLA2G4BPTGER1PTGER4PTGER3PTGER2
SCHEMBL6436109 0.87 PLA2G4B (0.44) PLA2G4BPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009820 0.87 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2LPAR1
SCHEMBL13009627 0.86 PTGER1 (0.54) PLA2G4BPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009835 0.85 PTGER1 (0.55) PLA2G4BPTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP claimed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US claimed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO claimed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 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 (3 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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS PLA2G4B 614/4885PTGER1 27/4885PTGER4 21/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS PLA2G4B 614/4885PTGER1 27/4885PTGER4 21/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA PLA2G4B 1282/4885PTGER1 438/4885PTGER4 415/4885

“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.