SCHEMBL13009771

SCHEMBL13009771

O=C(O)CCCCN(CCc1ccccc1OCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 3/20 0.45
LPAR1 Q92633 12/20 0.44
LPAR5 Q9H1C0 12/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PSEN1 P49768 1/20 0.42
MAPK14 Q16539 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
SCHEMBL13009856 0.93 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009664 0.89 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009672 0.88 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009539 0.88 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009676 0.87 SLC1A5 (0.53) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL13009668 0.87 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009845 0.87 RXRA (0.49) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009675 0.86 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2MEN1
Cinaciguat SCHEMBL249267 0.86 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009767 0.85 MEN1 (0.42) PTGER1PTGER4PTGER3PTGER2MEN1

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.