SCHEMBL1026022

SCHEMBL1026022

CC(C)N(CCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1ccccc1-c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.37
AHCY P23526 1/20 0.37
MMP9 P14780 2/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
ADAM17 P78536 1/20 0.31
ADAM9 Q13443 1/20 0.31
NAMPT P43490 2/20 0.30
METAP2 P50579 1/20 0.30
GPR88 Q9GZN0 1/20 0.30

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
SCHEMBL1196800 0.91 AHCY (0.35) ACKR3AHCYMMP9MMP1MMP3
SCHEMBL1197274 0.89 AHCY (0.35) ACKR3AHCY
SCHEMBL1197789 0.87 ACKR3 (0.39) ACKR3AHCYMMP9MMP1MMP3
SCHEMBL1027927 0.85 AHCY (0.39) ACKR3AHCY
SCHEMBL1030102 0.84 AHCY (0.47) ACKR3AHCYNAMPT
SCHEMBL1027823 0.84 AHCY (0.45) ACKR3AHCYNAMPT
SCHEMBL1025183 0.84 AHCY (0.39) ACKR3AHCY
SCHEMBL1197133 0.83 AHCY (0.37) ACKR3AHCY
SCHEMBL1027114 0.83 AHCY (0.37) ACKR3AHCY
SCHEMBL1027502 0.83 AHCY (0.46) ACKR3AHCYMMP9MMP1MMP3

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 4 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-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

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 ACKR3 1777/4885AHCY 4108/4885MMP9 104/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ACKR3 4604/4885AHCY 4/4885MMP9 1287/4885

“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.