SCHEMBL2913506

SCHEMBL2913506

CCOc1cc([C@@H](CN)S(C)(=O)=O)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.50
PDE4A P27815 9/20 0.50
PDE4C Q08493 9/20 0.50
PDE4D Q08499 9/20 0.50
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL7084190 1.00 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL905908 1.00 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL6876369 0.85 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL5673767 0.85 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL31190158 0.84 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL28048197 0.84 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL5551736 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL9938956 0.83 SMPD1 (0.47) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL6876864 0.82 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DALDH1A1
Ammonia Solution, Strong SCHEMBL18920443 0.81 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019073431-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREMILAST AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2019-04-18 WO claimed
WO-2017179065-A1 IMPROVED PROCESS FOR THE PREPARATION OF APREMILAST DAVULURI RAMAMOHAN RAO (IN) 2017-10-19 WO claimed
WO-2016174685-A1 PROCESS FOR THE ENANTIOMERIC RESOLUTION OF APREMILAST INTERMEDIATES MYLAN LABORATORIES LIMITED (IN) 2016-11-03 WO claimed
EP-3619195-A1 NOVEL PROCESS TO PREPARE N-[2-[(1S)-1-(3-ETHOXY-4-METHOXYPHENYL)-2-(METHYLSULPHONYL) ETHYL]-1, 3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-4-YL]ACETAMIDE Unichem Laboratories Ltd (IN) 2020-03-11 EP disclosed
WO-2019073431-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREMILAST AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2019-04-18 WO disclosed
WO-2018203192-A1 NOVEL PROCESS TO PREPARE N-[2-[(1S)-1-(3-ETHOXY-4-METHOXYPHENYL)-2-(METHYLSULPHONYL) ETHYL]-1, 3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-4-YL]ACETAMIDE UNICHEM LABORATORIES LTD (IN) 2018-11-08 WO disclosed
WO-2017179065-A1 IMPROVED PROCESS FOR THE PREPARATION OF APREMILAST DAVULURI RAMAMOHAN RAO (IN) 2017-10-19 WO disclosed
WO-2017070291-A1 PDE4 MODULATORS FOR TREATING AND PREVENTING IMMUNE RECONSTITUTION INFLAMMATORY SYNDROME (IRIS) CELGENE CORPORATION (US) 2017-04-27 WO disclosed
EP-3142663-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ATHEROSCLEROTIC CARDIOVASCULAR DISEASES WITH PDE4 MODULATORS Celgene Corporation (US) 2017-03-22 EP disclosed
EP-3142748-A1 USE OF PDE4 INHIBITORS AND COMBINATIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS Celgene Corporation (US) 2017-03-22 EP disclosed
WO-2016174685-A1 PROCESS FOR THE ENANTIOMERIC RESOLUTION OF APREMILAST INTERMEDIATES MYLAN LABORATORIES LIMITED (IN) 2016-11-03 WO disclosed
WO-2013126360-A2 PROCESSES FOR THE PREPARATION OF (S)-1-(3-ETHOXY-4METHOXYPHENYL)-2-METHANESULFONYLETHYLAMINE CELGENE CORPORATION (US) 2013-08-29 WO disclosed
WO-2012149251-A1 METHODS AND COMPOSITIONS USING PDE4 INHIBITORS FOR THE TREATMENT AND MANAGEMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES CELGENE CORPORATION (US) 2012-11-01 WO disclosed
WO-2012121988-A2 METHODS FOR TREATING DISEASES USING ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2012-09-13 WO disclosed
WO-2012096884-A1 PHENETHYLSULFONE ISOINDOLINE DERIVATIVES AS INHIBITORS OF PDE 4 AND/OR CYTOKINES CELGENE CORPORATION (US) 2012-07-19 WO disclosed
EP-2223687-A1 (+)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-acetylaminoisoindoline-1,3-dione: Methods of Using and Compositions Thereof CELGENE CORPORATION (US) 2010-09-01 EP disclosed
EP-1965793-A1 METHODS FOR TREATING CUTANEOUS LUPUS USING AMINOISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2008-09-10 EP disclosed
WO-2007079182-A1 METHODS FOR TREATING CUTANEOUS LUPUS USING AMINOISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2007-07-12 WO disclosed
EP-1485087-A1 (+)-2- 1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF CELGENE CORPORATION (US) 2004-12-15 EP disclosed
WO-2003080049-A1 (+)-2-[1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF CELGENE CORPORATION (US) 2003-10-02 WO disclosed