SCHEMBL7008666

SCHEMBL7008666

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 8/20 0.44
ATP4B P51164 8/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 1/20 0.44
SLC22A2 O15244 1/20 0.44
DDAH1 O94760 1/20 0.44
LMNA P02545 1/20 0.44
ABCB1 P08183 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ADRA1A P35348 1/20 0.44
FASN P49327 1/20 0.44
SLC47A2 Q86VL8 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
ATP1A1 P05023 3/20 0.38
ATP1B1 P05026 3/20 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
SCHEMBL7013903 0.95 ATP4A (0.46) ATP4AATP4BMAPTKDM4EALDH1A1
SCHEMBL7009441 0.94 ATP4A (0.43) ATP4AATP4BMAPTKDM4EALDH1A1
SCHEMBL7010141 0.94 ATP4A (0.44) ATP4AATP4BMAPTKDM4EALDH1A1
SCHEMBL7011917 0.94 ATP4A (0.44) ATP4AATP4BMAPTKDM4EALDH1A1
SCHEMBL7007357 0.93 ATP4A (0.44) ATP4AATP4BMAPTKDM4EALDH1A1
SCHEMBL7014558 0.93 ATP4A (0.44) ATP4AATP4BMAPTKDM4EALDH1A1
SCHEMBL7014726 0.92 ATP4A (0.43) ATP4AATP4BMAPTKDM4EALDH1A1
SCHEMBL5764379 0.91 ATP4A (0.42) ATP4AATP4BMAPTKDM4EALDH1A1
SCHEMBL5764375 0.91 ATP4A (0.42) ATP4AATP4BMAPTKDM4EALDH1A1
SCHEMBL7008684 0.90 ATP4A (0.42) ATP4AATP4BMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP claimed
EP-1105387-A1 PRODRUGS OF PROTON PUMP INHIBITORS Partnership of Michael E. Garst, George Sachs and Jai Moo Shin (US) 2001-06-13 EP claimed
US-6093734-A PYRIDYL METHYL SULFINYL BENZIMIDAZOLE TYPE PROTON PUMP INHIBITOR DRUGS HAVING A HYDROLYZABLE SULFINYL OR ARYLSULFONYL GROUP ATTACHED TO THE BENZIMIDAZOLE NITROGEN; GASTROINTESTINAL DISORDERS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS, AND JAI MOO SHIN (US) 2000-07-25 US claimed
WO-2000009498-A1 PRODRUGS OF PROTON PUMP INHIBITORS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS AND JAI MOO SHIN (US) 2000-02-24 WO 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
US-6093734-A PYRIDYL METHYL SULFINYL BENZIMIDAZOLE TYPE PROTON PUMP INHIBITOR DRUGS HAVING A HYDROLYZABLE SULFINYL OR ARYLSULFONYL GROUP ATTACHED TO THE BENZIMIDAZOLE NITROGEN; GASTROINTESTINAL DISORDERS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS, AND JAI MOO SHIN (US) 2000-07-25 US 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