SCHEMBL25345014

SCHEMBL25345014

COc1ncc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
PDE4B Q07343 1/20 0.46
HPGDS O60760 1/20 0.44
SCN9A Q15858 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
GPR119 Q8TDV5 9/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CD O00329 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 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
SCHEMBL27211093 1.00 PRMT5 (0.46) PRMT5PDE4BHPGDSSCN9AJAK2
SCHEMBL30473704 1.00 PRMT5 (0.46) PRMT5PDE4BHPGDSSCN9AJAK2
SCHEMBL30473696 0.90 PRMT5 (0.44) PRMT5PDE4BHPGDSSCN9AJAK2
SCHEMBL25343933 0.90 PRMT5 (0.44) PRMT5PDE4BHPGDSSCN9AJAK2
SCHEMBL27211233 0.90 PRMT5 (0.44) PRMT5PDE4BHPGDSSCN9AJAK2
SCHEMBL30473674 0.87 PIK3CD (0.51) PRMT5PDE4BHPGDSJAK2JAK1
SCHEMBL27211356 0.87 PIK3CD (0.51) PRMT5PDE4BHPGDSJAK2JAK1
SCHEMBL25344277 0.87 PIK3CD (0.51) PRMT5PDE4BHPGDSJAK2JAK1
SCHEMBL25342400 0.86 PDE4B (0.47) PRMT5PDE4BHPGDSSCN9AJAK2
SCHEMBL29457556 0.86 PDE4B (0.47) PRMT5PDE4BHPGDSJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed