SCHEMBL692129

SCHEMBL692129

CCOc1cc(C(CN2C(=O)c3cccc(CNC(=O)CCl)c3C2=O)S(C)(=O)=O)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.47
PDE4C Q08493 19/20 0.47
PDE4A P27815 13/20 0.47
PDE4D Q08499 13/20 0.47
HTR2B P41595 1/20 0.46
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4426112 0.91 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5423831 0.84 PDE4B (0.55) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5191733 0.84 PDE4B (0.51) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL6025567 0.83 PDE4B (0.64) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537201 0.83 PDE4B (0.70) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL825653 0.82 PDE4B (0.53) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1583109 0.81 PDE4B (0.66) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL25205204 0.81 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL825619 0.81 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL4427002 0.80 PDE4B (0.47) PDE4BPDE4CPDE4APDE4DHTR2B

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
EP-1228071-B8 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2012-02-29 EP disclosed
EP-1228071-A4 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2002-12-04 EP disclosed
EP-1228071-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2002-08-07 EP disclosed
WO-2001034606-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2001-05-17 WO disclosed