SCHEMBL7008992

SCHEMBL7008992

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 6/20 0.40
ATP4B P51164 6/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC22A2 O15244 1/20 0.40
DDAH1 O94760 1/20 0.40
LMNA P02545 1/20 0.40
ABCB1 P08183 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ADRA1A P35348 1/20 0.40
FASN P49327 1/20 0.40
SLC47A2 Q86VL8 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ATP1A1 P05023 2/20 0.34
ATP1B1 P05026 2/20 0.34

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
SCHEMBL7008684 0.94 ATP4A (0.42) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL7225077 0.94 ATP4A (0.39) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL2245635 0.93 ATP4A (0.41) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL5761564 0.93 ATP4A (0.41) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL5761552 0.93 ATP4A (0.41) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL5761549 0.93 ATP4A (0.40) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL7012653 0.93 ATP4A (0.37) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL7008228 0.92 ATP4A (0.44) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL14465232 0.91 ATP4A (0.42) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL12353527 0.91 ATP4A (0.42) ATP4AATP4BALDH1A1HPGDCYP2C9

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
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
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