SCHEMBL4028736

SCHEMBL4028736

CC(C)(C)NC(=O)/C(=C/c1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.83
PDE4B Q07343 18/20 0.83
PDE4C Q08493 18/20 0.83
PDE4D Q08499 18/20 0.83
CYP2C9 P11712 6/20 0.65
KCNH2 Q12809 1/20 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
SCHEMBL4028742 1.00 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4035330 0.91 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4035326 0.91 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4026424 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4026428 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4033567 0.90 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4033573 0.90 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6181679 0.90 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6181677 0.90 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4031506 0.89 PDE4A (0.78) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562588-A4 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-10-31 EP claimed
EP-1633306-A4 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-05-16 EP claimed
US-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders MERCK & CO., INC. 2006-11-16 US claimed
US-20060069115-A1 Use of pde4 inhibitors as adjunct therapy for psychiatric disorders SCOLNICK EDWARD M 2006-03-30 US claimed
EP-1633306-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2006-03-15 EP claimed
US-20060040981-A1 Use of phosphodiesterase-4 inhibitors as enhancers of cognition MERCK FROSST CANADA LTD. (CA) 2006-02-23 US claimed
EP-1562588-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2005-08-17 EP claimed
WO-2004105698-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-12-09 WO claimed
WO-2004045508-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-06-03 WO claimed
US-20020103226-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-08-01 US claimed
US-6410563-B1 RESPIRATORY SYSTEM DISORDERS; ANTIARTHRITIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-06-25 US claimed
EP-1363635-B1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO INC (US) 2009-04-15 EP disclosed
EP-1562588-A4 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders MERCK & CO., INC. 2006-11-16 US disclosed
US-20060069115-A1 Use of pde4 inhibitors as adjunct therapy for psychiatric disorders SCOLNICK EDWARD M 2006-03-30 US disclosed
WO-2004045508-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-06-03 WO disclosed
US-6740666-B2 FOR THERAPY OF ASTHMA, CHRONIC BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, EOSINOPHILIC GRANULOMA, PSORIASIS; SEPTIC SHOCK, ULCERATIVE COLITIS, CROHN'S DISEASE, REPERFUSION INJURY OF THE MYOCARDIUM AND BRAIN, INFLAMMATION MERCK & CO., INC. 2004-05-25 US disclosed
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-10-03 US disclosed
US-20020103226-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-08-01 US disclosed
US-6410563-B1 RESPIRATORY SYSTEM DISORDERS; ANTIARTHRITIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-06-25 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 (4 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-20020103226-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders PPP3CA, PTPA, PPP3CB PDE4A 253/4885PDE4B 268/4885PDE4C 303/4885
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885
US-20060040981-A1 Use of phosphodiesterase-4 inhibitors as enhancers of cognition 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.