SCHEMBL4606648

SCHEMBL4606648

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
XDH P47989 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ALPL P05186 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
ABL1 P00519 4/20 0.32
SRC P12931 3/20 0.32
ULK1 O75385 1/20 0.32

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
SCHEMBL4606408 0.87 MMP2 (0.41) MMP2ALDH1A1GAAMAPK1
SCHEMBL5051475 0.85 MMP2 (0.42) MMP2ALDH1A1GAAMAPK1KDM4E
SCHEMBL4605593 0.85 MMP2 (0.60) MMP2ALDH1A1GAAMAPK1CYP1A2
SCHEMBL7424608 0.77 MMP2 (0.61) MMP2ALDH1A1GAAMAPK1CYP1A2
SCHEMBL20630811 0.75 MMP2 (0.60) MMP2ALDH1A1GAAMAPK1CYP1A2
SCHEMBL28296067 0.74 MMP2 (0.58) MMP2ALDH1A1GAAMAPK1CYP1A2
SCHEMBL8653203 0.74 MMP2 (0.67) MMP2ALDH1A1GAAMAPK1CYP1A2
SCHEMBL31373939 0.74 MMP2 (0.58) MMP2ALDH1A1GAAMAPK1CYP1A2
SCHEMBL14744177 0.74 MMP2 (0.67) MMP2ALDH1A1GAAMAPK1CYP1A2
SCHEMBL20206828 0.73 ALDH1A1 (0.33) ALDH1A1GAAGABRA1GABRG2GABRB3

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 220/4885ALDH1A1 1152/4885GAA 352/4885

“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.