SCHEMBL13009668

SCHEMBL13009668

CC(C)(C)c1ccc(COc2ccccc2CCN(CCCCC(=O)O)Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
RXRA P19793 9/20 0.48
RXRB P28702 8/20 0.48
RXRG P48443 6/20 0.48
NR4A2 P43354 2/20 0.47
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
HPGD P15428 1/20 0.41
FOLH1 Q04609 1/20 0.41
NR1H4 Q96RI1 1/20 0.39
BCL2 P10415 1/20 0.39

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
SCHEMBL13009874 0.97 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2NPSR1
SCHEMBL13009539 0.92 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009681 0.90 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009666 0.90 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2RXRA
Cinaciguat SCHEMBL249267 0.90 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009881 0.90 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2NPSR1
SCHEMBL13009661 0.89 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2RXRA
Cinaciguat SCHEMBL2987188 0.89 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009856 0.89 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009675 0.88 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2RXRA

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.