SCHEMBL3728514

SCHEMBL3728514

N#Cc1ccc(S(=O)(=O)OCC2CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ PRMT5 O14744 1/20 0.51
▸ WDR77 Q9BQA1 1/20 0.51
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL9423475 0.80 PRMT5 (0.54) PKMALDH1A1LMNAGAAPRMT5
SCHEMBL439062 0.80 PRMT5 (0.54) PKMALDH1A1LMNAGAAPRMT5
SCHEMBL9423564 0.80 PRMT5 (0.54) PKMALDH1A1LMNAGAAPRMT5
SCHEMBL7472174 0.80 PRMT5 (0.54) PKMALDH1A1LMNAGAAPRMT5
SCHEMBL3961853 0.80 PRMT5 (0.54) PKMALDH1A1LMNAGAAPRMT5
SCHEMBL7468390 0.80 PRMT5 (0.54) PKMALDH1A1LMNAGAAPRMT5
SCHEMBL439063 0.80 PRMT5 (0.54) PKMALDH1A1LMNAGAAPRMT5
SCHEMBL3725233 0.80 PRMT5 (0.54) PKMALDH1A1LMNAGAAPRMT5
SCHEMBL450879 0.80 PRMT5 (0.54) PKMALDH1A1LMNAGAAPRMT5
SCHEMBL58865 0.80 PRMT5 (0.60) PKMALDH1A1LMNAGAAPRMT5

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
WO-2010007408-A2 INTERMEDIATES 2-(2-CHLORO-5-HYDROXY-4-METHYLCARBAMOYLPHENOXY)-2-METHYLPROPIONIC ACID TERT-BUTYL ESTER AND GLYCIDYL BENZENE SULFONATES OR SALTS THEREOF AND THE PROCESS FOR PREPARATION OF SAID INTERMEDIATES ASTRAZENECA AB (SE) 2010-01-21 — — WO claimed
WO-2010007408-A2 INTERMEDIATES 2-(2-CHLORO-5-HYDROXY-4-METHYLCARBAMOYLPHENOXY)-2-METHYLPROPIONIC ACID TERT-BUTYL ESTER AND GLYCIDYL BENZENE SULFONATES OR SALTS THEREOF AND THE PROCESS FOR PREPARATION OF SAID INTERMEDIATES ASTRAZENECA AB (SE) 2010-01-21 — — WO disclosed
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