Apremilast

Apremilast

SCHEMBL3135372

CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Apremilast. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B known ✓ Q07343 20/20 1.00
PDE4C known ✓ Q08493 19/20 1.00
PDE4A known ✓ P27815 13/20 1.00
PDE4D known ✓ Q08499 13/20 1.00
HTR2B P41595 1/20 1.00

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
Apremilast SCHEMBL302671 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL302992 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL29393225 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL29446192 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL29392757 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL29350625 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL15869338 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL7135116 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL15869341 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL25247853 0.99 PDE4B (0.98) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235213-A2 USE OF MICRO-RNA AS A BIOMARKER OF IMMUNOMODULATORY DRUG ACTIVITY CELGENE CORPORATION (US) 2010-10-06 EP disclosed
WO-2009085234-A9 USE OF MICRO-RNA AS A BIOMARKER OF IMMUNOMODULATORY DRUG ACTIVITY CELGENE CORPORATION (US) 2010-08-12 WO disclosed
WO-2009085234-A2 USE OF MICRO-RNA AS A BIOMARKER OF IMMUNOMODULATORY DRUG ACTIVITY SIGNAL PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed