SCHEMBL1027462

SCHEMBL1027462

CCN(NC(=O)c1ccc(C)c(N(CC(=O)O)CC(=O)O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
LMNA P02545 4/20 0.32
ABCB1 P08183 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
CYP3A4 P08684 1/20 0.31
CNR2 P34972 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 3/20 0.31
HTT P42858 2/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
PTPRC P08575 2/20 0.31
SUCNR1 Q9BXA5 1/20 0.31

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
SCHEMBL1025037 0.91 HDAC1 (0.34) ALDH1A1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1029808 0.89 ALDH1A1 (0.37) ALDH1A1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1028023 0.87 ALDH1A1 (0.40) ALDH1A1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1024460 0.85 AHCY (0.38) SMN1; SMN2HTTSUCNR1
SCHEMBL1029721 0.81 ALDH1A1 (0.35) ALDH1A1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1029069 0.79 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL1026106 0.78 AHCY (0.38) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL1027539 0.78 HDAC3 (0.33) ALDH1A1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1025928 0.77 ALDH1A1 (0.38) ALDH1A1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1027230 0.74 AHCY (0.38)

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 11 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
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

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 ALDH1A1 180/4885HDAC1 570/4885HDAC3 469/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885HDAC1 1765/4885HDAC3 3040/4885

“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.