SCHEMBL4046348

SCHEMBL4046348

CC(C)(c1cc(-c2cccc(COc3ccccc3OCc3ccccc3)c2)c2ncccc2c1)S(C)(=O)=O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 17/20 0.67
PDE4A P27815 10/20 0.64
PDE4B Q07343 10/20 0.64
PDE4C Q08493 10/20 0.64
PDE4D Q08499 10/20 0.64

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
SCHEMBL4039707 0.94 PDE4A (0.68) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4037773 0.93 CYP2C9 (0.62) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4046828 0.92 CYP2C9 (0.62) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4042517 0.91 CYP2C9 (0.60) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4039855 0.90 CYP2C9 (0.61) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4214113 0.89 CYP2C9 (0.59) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4037854 0.89 CYP2C9 (0.61) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4040596 0.89 CYP2C9 (0.63) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4039005 0.88 CYP2C9 (0.61) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4035929 0.87 CYP2C9 (0.68) 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-0679196-B1 DNA SEQUENCING BY MASS SPECTROMETRY SEQUENOM INC (US) 2004-05-26 EP claimed
US-6238871-B1 HIGH SPEED; HIGH THROUGHPUT; NO REQUIRED ELECTROPHORESIS; SANGER SEQUENCING STRATEGY, THEN DETERMINING SEQUENCE BY ALIGNING TERMINATED FRAGMENTS ACCORDING TO MOLECULAR WEIGHT SEQUENOM, INC. 2001-05-29 US claimed
US-5547835-A USING THE SANGER SEQUENCING STRATEGY AND ASSEMBLING THE SEQUENCE INFORMATION BY ANALYSIS OF THE NESTED FRAGMENTS OBTAINED BY BASE-SPECIFIC CHAIN TERMINATION VIA THEIR DIFFERENT MOLECULAR MASSES SEQUENOM, INC. (US) 1996-08-20 US claimed
EP-0679196-A1 DNA SEQUENCING BY MASS SPECTROMETRY SEQUENOM, INC. (US) 1995-11-02 EP claimed
WO-1994016101-A2 DNA SEQUENCING BY MASS SPECTROMETRY KOESTER HUBERT (US) 1994-07-21 WO claimed
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
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 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.