SCHEMBL1027428

SCHEMBL1027428

CCc1ccc(C#N)cc1N(CC(=O)O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
FFAR4 Q5NUL3 2/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MMP2 P08253 1/20 0.37
CYP2A6 P11509 1/20 0.37
KMO O15229 1/20 0.36
MAOB P27338 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
SETDB1 Q15047 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCC9 O60706 1/20 0.34

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
SCHEMBL12878102 0.87 FFAR1 (0.40) FFAR1FFAR4KEAP1NFE2L2MMP2
SCHEMBL1026193 0.83 FFAR1 (0.46) FFAR1FFAR4KEAP1NFE2L2MMP2
SCHEMBL1027836 0.81 AHCY (0.41) KEAP1NFE2L2PTGDR2
SCHEMBL1026664 0.80 HCRTR2 (0.42) FFAR1KEAP1NFE2L2MMP2MAOB
SCHEMBL1024096 0.80 PTGDR2 (0.41) FFAR1FFAR4KEAP1NFE2L2MMP2
SCHEMBL1029059 0.80 FFAR1 (0.43) FFAR1FFAR4KEAP1NFE2L2MMP2
SCHEMBL12722185 0.79 HCRTR2 (0.44) PTGDR2TDP1HCRTR2GAAMAPT
SCHEMBL1026704 0.77 PTGDR2 (0.52) FFAR1KEAP1NFE2L2PTGDR2TDP1
SCHEMBL8376226 0.73 HCRTR2 (0.44) KEAP1NFE2L2MMP2CYP2A6MAOB
SCHEMBL12722181 0.73 FFAR1 (0.45) FFAR1FFAR4KEAP1NFE2L2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
WO-2009125853-A1 HOMOCYSTEINE SYNTHASE INHIBITOR 田辺三菱製薬株式会社 (JP) 2009-10-15 WO 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 FFAR1 3092/4885FFAR4 3663/4885KEAP1 776/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 FFAR1 3345/4885FFAR4 4630/4885KEAP1 754/4885

“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.