SCHEMBL1024096

SCHEMBL1024096

N#Cc1ccc(F)c(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.39
MAP2K1 Q02750 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.36
P4HB P07237 1/20 0.35
CXCR3 P49682 1/20 0.35
MMP2 P08253 1/20 0.35
KMO O15229 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 1/20 0.34
VNN1 O95497 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
SCHEMBL1026193 0.81 FFAR1 (0.46) PTGDR2KEAP1NFE2L2FFAR1FFAR4
SCHEMBL1026664 0.81 HCRTR2 (0.42) PTGDR2KEAP1NFE2L2FFAR1TDP1
SCHEMBL1027428 0.80 FFAR1 (0.41) PTGDR2KEAP1NFE2L2FFAR1FFAR4
SCHEMBL1028149 0.80 AHCY (0.41) PTGDR2KEAP1NFE2L2CXCR3SMN1; SMN2
SCHEMBL12878102 0.79 FFAR1 (0.40) PTGDR2KEAP1NFE2L2FFAR1FFAR4
SCHEMBL1029059 0.78 FFAR1 (0.43) PTGDR2KEAP1NFE2L2FFAR1FFAR4
SCHEMBL1026704 0.78 PTGDR2 (0.52) PTGDR2KEAP1NFE2L2FFAR1TDP1
SCHEMBL12722185 0.78 HCRTR2 (0.44) PTGDR2TDP1P4HBGAA
SCHEMBL13736521 0.77 KDM4E (0.42) GAA
SCHEMBL1026642 0.77 ALDH1A1 (0.42) PTGDR2KEAP1NFE2L2TDP1SMN1; SMN2

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 13 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
WO-2011043479-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION 田辺三菱製薬株式会社 (JP) 2011-04-14 WO 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
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 PTGDR2 504/4885KEAP1 776/4885NFE2L2 1949/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 PTGDR2 4330/4885KEAP1 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.