SCHEMBL7007033

SCHEMBL7007033

COc1ccc(S(=O)(=O)n2c([S+]([O-])Cc3nccc(OCC(F)(F)F)c3C)nc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NOD1 Q9Y239 3/20 0.46
CXCL8 P10145 1/20 0.46
TSHR P16473 5/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
WDR5 P61964 2/20 0.41
ENGASE Q8NFI3 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41

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 0.93 MAPT (0.50) MAPTNOD1CXCL8TSHRALDH1A1
SCHEMBL7008209 0.93 NOD1 (0.49) MAPTNOD1CXCL8TSHRALDH1A1
SCHEMBL7008417 0.93 MAPT (0.49) MAPTNOD1CXCL8TSHRALDH1A1
SCHEMBL7008895 0.92 MAPT (0.49) MAPTNOD1CXCL8TSHRALDH1A1
SCHEMBL7006360 0.91 MAPT (0.48) MAPTNOD1CXCL8TSHRALDH1A1
SCHEMBL7007858 0.91 MAPT (0.48) MAPTNOD1CXCL8TSHRALDH1A1
SCHEMBL13008041 0.90 MAPT (0.43) MAPTNOD1CXCL8TSHRALDH1A1
SCHEMBL13138459 0.90 MAPT (0.44) MAPTNOD1CXCL8TSHRALDH1A1
SCHEMBL5760369 0.90 MAPT (0.44) MAPTNOD1CXCL8TSHRALDH1A1
SCHEMBL5760383 0.90 MAPT (0.44) MAPTNOD1CXCL8TSHRALDH1A1

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 4 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