SCHEMBL7008417

SCHEMBL7008417

Cc1ccc(S(=O)(=O)n2c([S+]([O-])Cc3nccc(OCC(F)(F)F)c3C)nc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH3A1 P30838 4/20 0.44
NOD1 Q9Y239 5/20 0.43
GAA P10253 3/20 0.43
CXCL8 P10145 1/20 0.43
NOD2 Q9HC29 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
WDR5 P61964 2/20 0.42
ENGASE Q8NFI3 2/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL7014253 0.96 MAPT (0.50) MAPTALDH3A1NOD1GAACXCL8
SCHEMBL7008895 0.94 MAPT (0.49) MAPTALDH3A1NOD1GAACXCL8
SCHEMBL7006360 0.93 MAPT (0.48) MAPTALDH3A1NOD1GAACXCL8
SCHEMBL7007858 0.93 MAPT (0.48) MAPTALDH3A1NOD1GAACXCL8
SCHEMBL7007033 0.93 MAPT (0.47) MAPTALDH3A1NOD1GAACXCL8
SCHEMBL7008209 0.92 NOD1 (0.49) MAPTALDH3A1NOD1GAACXCL8
SCHEMBL7014714 0.92 MAPT (0.47) MAPTALDH3A1NOD1GAACXCL8
SCHEMBL7012210 0.90 MAPT (0.47) MAPTALDH3A1NOD1GAACXCL8
SCHEMBL7011805 0.90 MAPT (0.46) MAPTALDH3A1NOD1GAAALDH1A1
SCHEMBL12353532 0.89 MAPT (0.49) MAPTALDH3A1NOD1GAAALDH1A1

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 5 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
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
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
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