SCHEMBL15210310

SCHEMBL15210310

CCOc1cc(S(C)(=O)=O)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
PDE4A P27815 3/20 0.59
PDE4B Q07343 3/20 0.59
PDE4C Q08493 3/20 0.59
PDE4D Q08499 3/20 0.59
MAPK1 P28482 4/20 0.55
TSHR P16473 4/20 0.55
POLB P06746 1/20 0.55
PTGS2 P35354 2/20 0.50
LMNA P02545 4/20 0.47
HTT P42858 3/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
STAT6 P42226 1/20 0.45

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
SCHEMBL862980 0.85 POLB (0.73) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL16651881 0.79 EPAS1 (0.49) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL26647136 0.79 ALDH1A1 (0.58) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL15434333 0.79 KMT2A (0.57) SMN1; SMN2TSHRLMNAHTTKMT2A
SCHEMBL19457212 0.79 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1TSHRPOLBPTGS2
SCHEMBL17689140 0.79 SMN1; SMN2 (0.62) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL18074050 0.78 GAA (0.70) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL5715461 0.78 PTGS2 (0.49) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL1489970 0.78 TSHR (0.53) SMN1; SMN2MAPK1TSHRPOLBLMNA
SCHEMBL21569260 0.78 LMNA (0.62) SMN1; SMN2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104245668-B Process for the preparation of (S) -1- (3-ethoxy-4-methoxyphenyl) -2-methanesulfonylethylamine 细胞基因公司 2017-05-17 CN disclosed
EP-2817288-A2 PROCESSES FOR THE PREPARATION OF (S)-1-(3-ETHOXY-4METHOXYPHENYL)-2-METHANESULFONYLETHYLAMINE Celgene Corporation (US) 2014-12-31 EP disclosed
EP-2817288-A2 PROCESSES FOR THE PREPARATION OF (S)-1-(3-ETHOXY-4METHOXYPHENYL)-2-METHANESULFONYLETHYLAMINE Celgene Corporation (US) 2014-12-31 EP disclosed
CN-104245668-A Process for the preparation of -1- (3-ethoxy-4-methoxyphenyl) -2-methanesulfonylethylamine CELGENE CORP 2014-12-24 CN disclosed
WO-2013126360-A3 PROCESSES FOR THE PREPARATION OF (S)-1-(3-ETHOXY-4METHOXYPHENYL)-2-METHANESULFONYLETHYLAMINE CELGENE CORPORATION (US) 2013-10-31 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-2013126360-A2 PROCESSES FOR THE PREPARATION OF (S)-1-(3-ETHOXY-4METHOXYPHENYL)-2-METHANESULFONYLETHYLAMINE CELGENE CORPORATION (US) 2013-08-29 WO disclosed