SCHEMBL13009676

SCHEMBL13009676

O=C(O)CCCCN(CCc1ccccc1OCc1cccc(C(F)(F)F)c1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.53
NR4A2 P43354 2/20 0.51
FFAR4 Q5NUL3 3/20 0.49
FFAR1 O14842 1/20 0.48
PTGER1 P34995 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
MRGPRX4 Q96LA9 4/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 2/20 0.41
NR1H3 Q13133 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 0.89 PTGER1 (0.49) SLC1A5FFAR4FFAR1PTGER1PTGER4
SCHEMBL13009539 0.88 PTGER1 (0.61) NR4A2PTGER1PTGER4PTGER3PTGER2
SCHEMBL13009771 0.87 PTGER1 (0.48) FFAR4FFAR1PTGER1PTGER4PTGER3
Cinaciguat SCHEMBL249267 0.86 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
Cinaciguat SCHEMBL2987188 0.86 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009654 0.85 SLC1A5 (0.48) SLC1A5NR4A2FFAR4FFAR1PTGER1
SCHEMBL13009672 0.85 PTGER1 (0.57) NR4A2FFAR4FFAR1PTGER1PTGER4
SCHEMBL13009668 0.84 PTGER1 (0.52) NR4A2PTGER1PTGER4PTGER3PTGER2
SCHEMBL13009831 0.84 PTGER1 (0.56) SLC1A5NR4A2FFAR4FFAR1PTGER1
SCHEMBL5272235 0.84 FFAR1 (0.42) SLC1A5FFAR4FFAR1PTGER1PTGER4

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 SLC1A5 295/4885NR4A2 2290/4885FFAR4 211/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS SLC1A5 295/4885NR4A2 2290/4885FFAR4 211/4885

“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.