SCHEMBL7011328

SCHEMBL7011328

COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3n2S(=O)(=O)c2ccc(NC(N)=O)cc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 5/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 3/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 2/20 0.38
DDAH1 O94760 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
IDE P14735 1/20 0.38
ADRA2B P18089 1/20 0.38
TBXA2R P21731 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
NPY1R P25929 1/20 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
SCHEMBL7013495 0.88 ALDH1A1 (0.43) ALDH1A1TSHRHTTSMN1; SMN2TP53
SCHEMBL7008782 0.88 MAPT (0.44) ALDH1A1TSHRHTTSMN1; SMN2TP53
SCHEMBL13053533 0.86 ALDH1A1 (0.44) ALDH1A1TSHRHTTSMN1; SMN2TP53
SCHEMBL5763411 0.86 ALDH1A1 (0.44) ALDH1A1TSHRHTTSMN1; SMN2TP53
SCHEMBL5763423 0.86 ALDH1A1 (0.44) ALDH1A1TSHRHTTSMN1; SMN2TP53
SCHEMBL7233208 0.85 ALDH3A1 (0.38) ALDH1A1TSHRHTTSMN1; SMN2TP53
SCHEMBL7012259 0.85 SMN1; SMN2 (0.40) ALDH1A1TSHRHTTSMN1; SMN2TP53
SCHEMBL5763405 0.85 ALDH1A1 (0.43) ALDH1A1TSHRHTTSMN1; SMN2TP53
SCHEMBL7007731 0.84 ALDH1A1 (0.40) ALDH1A1TSHRHTTSMN1; SMN2TP53
SCHEMBL7011482 0.84 ALDH1A1 (0.40) ALDH1A1TSHRHTTSMN1; SMN2TP53

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 7 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
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
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