SCHEMBL13009694

SCHEMBL13009694

O=C(O)CNC(=O)CN(CCc1ccccc1OCCCCCc1ccccc1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
PLA2G4B P0C869 1/20 0.42
LPAR1 Q92633 6/20 0.42
LPAR5 Q9H1C0 6/20 0.42
MEP1B Q16820 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HCRTR2 O43614 4/20 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
SCHEMBL13009717 0.87 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2PLA2G4B
SCHEMBL13009704 0.84 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2PLA2G4B
SCHEMBL13009690 0.83 ALDH1A1 (0.42) PTGER1PTGER4PTGER3PTGER2LPAR1
SCHEMBL13009624 0.83 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2PLA2G4B
SCHEMBL13009525 0.83 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2PLA2G4B
SCHEMBL4952105 0.82 PLA2G4B (0.56) PTGER1PTGER4PTGER3PTGER2PLA2G4B
SCHEMBL13009627 0.82 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2PLA2G4B
SCHEMBL13009710 0.81 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2PLA2G4B
SCHEMBL13009711 0.80 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2PLA2G4B
SCHEMBL13009688 0.75 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS PTGER1 27/4885PTGER4 21/4885PTGER3 48/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS PTGER1 27/4885PTGER4 21/4885PTGER3 48/4885

“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.