SCHEMBL7366254

SCHEMBL7366254

CC(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.64
KCNH2 Q12809 1/20 0.62

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
SCHEMBL7366809 0.90 PDE4A (0.64) PDE4AKCNH2
SCHEMBL7359822 0.89 PDE4A (0.66) PDE4AKCNH2
SCHEMBL7952889 0.86 PDE4A (0.63) PDE4AKCNH2
SCHEMBL7376251 0.85 PDE4A (0.67) PDE4AKCNH2
SCHEMBL7380926 0.82 PDE4A (0.76) PDE4AKCNH2
SCHEMBL7899075 0.81 PDE4A (0.88) PDE4AKCNH2
SCHEMBL7382646 0.81 PDE4A (0.67) PDE4AKCNH2
SCHEMBL7359815 0.81 PDE4A (0.65) PDE4AKCNH2
SCHEMBL7376254 0.80 PDE4A (0.66) PDE4AKCNH2
SCHEMBL7364400 0.80 PDE4A (0.69) PDE4AKCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804603-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2014-11-26 EP claimed
WO-2013106547-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-18 WO claimed
JP-2002544259-A 2002-12-24 JP claimed
EP-1189888-A1 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS $i(PDE 4) INHIBITORS Merck Frosst Canada & Co. (CA) 2002-03-27 EP claimed
WO-2000069824-A1 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-23 WO claimed
EP-2804603-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2014-11-26 EP disclosed
WO-2013106547-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-18 WO disclosed
EP-1189888-A1 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS $i(PDE 4) INHIBITORS Merck Frosst Canada & Co. (CA) 2002-03-27 EP disclosed
WO-2000069824-A1 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-23 WO disclosed