SCHEMBL4606408

SCHEMBL4606408

COCCOCCOCc1ncc(C(=O)O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.41
MMP13 P45452 3/20 0.37
MMP1 P03956 2/20 0.37
MMP9 P14780 2/20 0.37
PIN1 Q13526 1/20 0.36
HCAR3 P49019 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
DAO P14920 1/20 0.32
DGAT1 O75907 4/20 0.32
ALB P02768 1/20 0.31
MAPK1 P28482 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
SCHEMBL5051475 0.98 MMP2 (0.42) MMP2MMP13MMP1MMP9PIN1
SCHEMBL4606648 0.87 MMP2 (0.52) MMP2ALDH1A1GAAMAPK1
SCHEMBL1422384 0.78 MMP2 (0.48) MMP2MMP13MMP1MMP9PIN1
SCHEMBL20206828 0.74 ALDH1A1 (0.33) ALDH1A1GAA
SCHEMBL4506135 0.72 PIN1 (0.46) MMP2MMP13MMP1MMP9PIN1
SCHEMBL20204735 0.71 BRS3 (0.34)
SCHEMBL4605593 0.70 MMP2 (0.60) MMP2ALDH1A1GAAMAPK1
SCHEMBL14012152 0.69 PIN1 (0.43) MMP2MMP13MMP1MMP9PIN1
SCHEMBL20630518 0.69 PIN1 (0.46) MMP2MMP13MMP1MMP9PIN1
SCHEMBL12821931 0.68 MMP13 (0.44) MMP2MMP13MMP1MMP9PIN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569927-B1 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-07-16 EP disclosed
US-7358268-B2 Imidazole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-15 US disclosed
EP-1569927-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US disclosed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 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 (1 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-20040171604-A1 Imidazole derivatives as factor Xa inhibitors TFPI, F11, TFPI2 MMP2 220/4885MMP13 603/4885MMP1 161/4885

“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.