SCHEMBL1027197

SCHEMBL1027197

Cc1ccc(Br)cc1N(CC(=O)O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 4/20 0.36
NFE2L2 Q16236 4/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
DRD3 P35462 1/20 0.36
HPGD P15428 1/20 0.35
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 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
SCHEMBL1029127 0.86 KEAP1 (0.39) TDP1ALDH1A1KEAP1NFE2L2PTGDR2
SCHEMBL1025911 0.81 NPSR1 (0.41) TDP1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL11077684 0.81 SMN1; SMN2 (0.44) TDP1ALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL1025998 0.79 AHCY (0.41) TDP1ALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL1027697 0.79 MEN1 (0.46) TDP1ALDH1A1SMN1; SMN2PTGDR2HPGD
SCHEMBL12722194 0.79 ALDH1A1 (0.48) TDP1ALDH1A1SMN1; SMN2PTGDR2KDM4E
SCHEMBL1026486 0.78 ALDH1A1 (0.47) TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1025222 0.77 ALDH1A1 (0.46) TDP1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL27812451 0.77 TDP1 (0.37) TDP1KEAP1NFE2L2PTGDR2KDM4E
SCHEMBL1026193 0.76 FFAR1 (0.46) TDP1ALDH1A1SMN1; SMN2KEAP1NFE2L2

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 TDP1 4245/4885ALDH1A1 180/4885SMN1; SMN2 345/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 TDP1 744/4885ALDH1A1 600/4885SMN1; SMN2 2462/4885

“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.