SCHEMBL7010357

SCHEMBL7010357

COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3n2S(=O)(=O)c2ccc(OCC(=O)Nc3ccccn3)cc2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
PKM P14618 3/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 7/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 1/20 0.36
SLC22A2 O15244 1/20 0.36
DDAH1 O94760 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ATP4A P20648 1/20 0.36
ADRA1A P35348 1/20 0.36
FASN P49327 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
SCHEMBL7006819 0.95 KDM4E (0.38) NPC1RAB9APKMTP53KDM4E
SCHEMBL5761552 0.88 ATP4A (0.41) KDM4ELMNAMAPTHPGDALDH1A1
SCHEMBL5761564 0.88 ATP4A (0.41) KDM4ELMNAMAPTHPGDALDH1A1
SCHEMBL2245635 0.88 ATP4A (0.41) KDM4ELMNAMAPTHPGDALDH1A1
SCHEMBL7007925 0.88 ATP4A (0.43) TP53KDM4ELMNAMAPTHPGD
SCHEMBL7008992 0.87 ATP4A (0.40) KDM4ELMNAMAPTHPGDALDH1A1
SCHEMBL5761549 0.87 ATP4A (0.40) KDM4ELMNAMAPTHPGDALDH1A1
SCHEMBL7012653 0.87 ATP4A (0.37) KDM4EKMT2ALMNAMAPTHPGD
SCHEMBL7008228 0.86 ATP4A (0.44) KDM4EKMT2ALMNAMAPTHPGD
SCHEMBL14465232 0.86 ATP4A (0.42) KDM4EKMT2ALMNAMAPTHPGD

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