SCHEMBL4035923

SCHEMBL4035923

CC(C)(c1cc(-c2cccc(CBr)c2)c2ncccc2c1)S(C)(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 18/20 0.71
PDE4A P27815 10/20 0.69
PDE4B Q07343 10/20 0.69
PDE4C Q08493 10/20 0.69
PDE4D Q08499 10/20 0.69

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
SCHEMBL5259852 0.91 CYP2C9 (0.81) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4039946 0.89 CYP2C9 (0.74) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5256469 0.87 CYP2C9 (0.77) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL6218816 0.86 CYP2C9 (0.73) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL8363167 0.86 PDE4A (0.68) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4039163 0.85 CYP2C9 (0.67) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4211422 0.85 CYP2C9 (0.74) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5256052 0.85 CYP2C9 (0.82) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4039081 0.85 CYP2C9 (0.73) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL8363168 0.84 CYP2C9 (0.51) CYP2C9PDE4APDE4BPDE4CPDE4D

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
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
US-6919353-B2 Substituted 8-arylquinolune PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-07-19 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
EP-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2004-08-19 US disclosed
EP-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 WO disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 WO disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 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 (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-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B CYP2C9 712/4885PDE4A 2/4885PDE4B 3/4885
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C CYP2C9 476/4885PDE4A 1/4885PDE4B 2/4885

“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.