SCHEMBL7016453

SCHEMBL7016453

Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2n1S(=O)(=O)c1ccc(OCC(=O)NCC(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOD1 Q9Y239 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
WDR5 P61964 2/20 0.35
KMT2A Q03164 2/20 0.35
ENGASE Q8NFI3 2/20 0.35
NPC1 O15118 2/20 0.35
CYP2C9 P11712 2/20 0.35
RAB9A P51151 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL7010552 0.92 MAPT (0.44) MAPTTSHRALDH1A1TP53MAPK1
SCHEMBL5760383 0.90 MAPT (0.44) MAPTTSHRALDH1A1TP53MAPK1
SCHEMBL13138459 0.90 MAPT (0.44) MAPTTSHRALDH1A1TP53MAPK1
SCHEMBL5760364 0.90 MAPT (0.44) MAPTTSHRALDH1A1TP53MAPK1
SCHEMBL7012259 0.89 SMN1; SMN2 (0.40) MAPTTSHRALDH1A1TP53MAPK1
SCHEMBL13008041 0.89 MAPT (0.43) MAPTTSHRALDH1A1TP53MAPK1
SCHEMBL5760369 0.89 MAPT (0.44) MAPTTSHRALDH1A1TP53MAPK1
SCHEMBL7011241 0.88 MAPT (0.40) MAPTTSHRALDH1A1TP53MAPK1
SCHEMBL5761303 0.88 MAPT (0.38) MAPTTSHRALDH1A1TP53MAPK1
SCHEMBL7008782 0.85 MAPT (0.44) MAPTTSHRALDH1A1TP53MAPK1

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