SCHEMBL7006819

SCHEMBL7006819

COc1ccnc(C[S+]([O-])c2nc3ccc(OC(F)F)cc3n2S(=O)(=O)c2ccc(OCC(=O)Nc3ccccn3)cc2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.38
SLC22A2 O15244 1/20 0.38
DDAH1 O94760 1/20 0.38
ABCB1 P08183 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ATP4A P20648 1/20 0.38
ADRA1A P35348 1/20 0.38
FASN P49327 1/20 0.38
ATP4B P51164 1/20 0.38
SLC47A2 Q86VL8 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38

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
SCHEMBL7010357 0.95 NPC1 (0.38) KDM4ELMNAHPGDMAPTALDH1A1
SCHEMBL5764379 0.88 ATP4A (0.42) KDM4ELMNAHPGDMAPTALDH1A1
SCHEMBL5764375 0.88 ATP4A (0.42) KDM4ELMNAHPGDMAPTALDH1A1
SCHEMBL7011917 0.88 ATP4A (0.44) KDM4ELMNAHPGDMAPTALDH1A1
SCHEMBL6188812 0.87 ATP4A (0.42) KDM4ELMNAHPGDMAPTALDH1A1
SCHEMBL7008684 0.87 ATP4A (0.42) KDM4ELMNAHPGDMAPTALDH1A1
SCHEMBL7006871 0.87 ATP4A (0.39) KDM4ELMNAHPGDMAPTALDH1A1
SCHEMBL7013903 0.86 ATP4A (0.46) KDM4ELMNAHPGDMAPTALDH1A1
SCHEMBL7831809 0.86 KDM4E (0.39) KDM4ELMNAHPGDMAPTALDH1A1
SCHEMBL7010141 0.85 ATP4A (0.44) KDM4ELMNAHPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 US claimed
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP claimed
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 US disclosed
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP disclosed
EP-1105387-A1 PRODRUGS OF PROTON PUMP INHIBITORS Partnership of Michael E. Garst, George Sachs and Jai Moo Shin (US) 2001-06-13 EP disclosed
WO-2000009498-A1 PRODRUGS OF PROTON PUMP INHIBITORS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS AND JAI MOO SHIN (US) 2000-02-24 WO disclosed