SCHEMBL5256641

SCHEMBL5256641

COC(=O)CCc1cccc(-c2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 16/20 0.82
PDE4A P27815 8/20 0.63
PDE4B Q07343 8/20 0.63
PDE4C Q08493 8/20 0.63
PDE4D Q08499 8/20 0.63

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
SCHEMBL5255478 0.94 CYP2C9 (0.82) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5257398 0.90 CYP2C9 (1.00) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5255586 0.89 CYP2C9 (0.64) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5261020 0.85 CYP2C9 (0.75) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5256469 0.85 CYP2C9 (0.77) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5256052 0.84 CYP2C9 (0.82) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5256706 0.84 CYP2C9 (0.82) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5256241 0.84 CYP2C9 (1.00) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4039946 0.83 CYP2C9 (0.74) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5256572 0.83 CYP2C9 (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517895-B1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-03-14 EP disclosed
US-7153968-B2 8-(biaryl)quinoline PDE4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2006-12-26 US disclosed
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-10-20 US disclosed
EP-1517895-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-03-30 EP disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 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-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors IL4, PDE4A, PDE4C CYP2C9 1970/4885PDE4A 2/4885PDE4B 5/4885

“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.