SCHEMBL4039162

SCHEMBL4039162

CCOC(=O)C(Oc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.65
PDE4B Q07343 18/20 0.65
PDE4C Q08493 18/20 0.65
PDE4D Q08499 18/20 0.65
CYP2C9 P11712 14/20 0.65

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
SCHEMBL4038586 0.91 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4036083 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6634880 0.83 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6182890 0.80 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6183408 0.80 CYP2C9 (0.82) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6182833 0.79 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6183888 0.79 CYP2C9 (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6181589 0.79 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6182869 0.79 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6180648 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9

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-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 US disclosed
EP-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 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-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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.