SCHEMBL4207487

SCHEMBL4207487

CC(C)(c1cc(-c2cccc(-c3sc(-c4cccc(S(C)(=O)=O)c4)nc3-c3ccccc3)c2)c2ncccc2c1)S(C)(=O)=O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 15/20 0.73
PDE4A P27815 9/20 0.58
PDE4B Q07343 9/20 0.58
PDE4C Q08493 9/20 0.58
PDE4D Q08499 9/20 0.58

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
SCHEMBL4208681 0.89 CYP2C9 (0.68) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4212087 0.88 CYP2C9 (0.65) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4205948 0.88 CYP2C9 (0.67) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4204141 0.88 CYP2C9 (0.67) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4213223 0.87 CYP2C9 (0.68) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4204131 0.86 CYP2C9 (0.64) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4212679 0.86 CYP2C9 (0.70) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5256108 0.85 CYP2C9 (1.00) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4205171 0.85 CYP2C9 (0.72) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL16800118 0.84 CYP2C9 (0.66) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482456-B2 antiasthmatic; antiinflammatory; minimal side effects; 8-(3-{2-(3-chlorophenyl)-4-[4-(methylsulfonyl)phenyl]-1,3-thiazol-5-yl}phenyl)-6-[1-methyl-1-(methylsulfonyl)ethyl]quinoline; 2-[5-(3-{6-[1-methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}phenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]propan-2-ol MERCK FROSST CANADA 2009-01-27 US claimed
US-20060223850-A1 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA & CO. (CA) 2006-10-05 US claimed
US-7482456-B2 antiasthmatic; antiinflammatory; minimal side effects; 8-(3-{2-(3-chlorophenyl)-4-[4-(methylsulfonyl)phenyl]-1,3-thiazol-5-yl}phenyl)-6-[1-methyl-1-(methylsulfonyl)ethyl]quinoline; 2-[5-(3-{6-[1-methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}phenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]propan-2-ol MERCK FROSST CANADA 2009-01-27 US disclosed
US-20060223850-A1 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA & CO. (CA) 2006-10-05 US 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-20060223850-A1 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE3B CYP2C9 354/4885PDE4A 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.