SCHEMBL1029059

SCHEMBL1029059

Cc1cc(C#N)ccc1N(CC(=O)O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
KEAP1 Q14145 3/20 0.43
NFE2L2 Q16236 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
MAOB P27338 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.36
SETDB1 Q15047 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
IDO1 P14902 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL1026193 0.88 FFAR1 (0.46) FFAR1KEAP1NFE2L2MRGPRX4MAOB
SCHEMBL1024869 0.82 PDCD1 (0.42) MRGPRX4TDP1KDM4E
SCHEMBL1027043 0.81 AHCY (0.39) KEAP1NFE2L2MRGPRX4MAOBTDP1
SCHEMBL1027428 0.80 FFAR1 (0.41) FFAR1KEAP1NFE2L2MAOBTDP1
SCHEMBL341221 0.78 KEAP1 (0.46) KEAP1NFE2L2TDP1KDM4EGAA
SCHEMBL1026664 0.78 HCRTR2 (0.42) FFAR1KEAP1NFE2L2MRGPRX4MAOB
SCHEMBL1024096 0.78 PTGDR2 (0.41) FFAR1KEAP1NFE2L2MAOBTDP1
SCHEMBL12722185 0.78 HCRTR2 (0.44) MRGPRX4TDP1PTGDR2GAAMAPT
SCHEMBL12722181 0.77 FFAR1 (0.45) FFAR1KEAP1NFE2L2MRGPRX4MAOB
SCHEMBL12878102 0.76 FFAR1 (0.40) FFAR1KEAP1NFE2L2MAOBTDP1

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 9 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
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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 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 3092/4885KEAP1 776/4885NFE2L2 1949/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 FFAR1 3345/4885KEAP1 754/4885NFE2L2 3760/4885

“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.