SCHEMBL1457477

SCHEMBL1457477

Cc1c(OCC(F)(F)F)ccnc1CC[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.61
ATP4B P51164 5/20 0.61
CYP2C9 P11712 4/20 0.61
MAPT P10636 4/20 0.61
ATP1A1 P05023 4/20 0.61
ATP1B1 P05026 4/20 0.61
ATP1A3 P13637 4/20 0.61
ATP1B2 P14415 4/20 0.61
ATP1A2 P50993 4/20 0.61
ATP1B3 P54709 4/20 0.61
FXYD2 P54710 4/20 0.61
ATP1A4 Q13733 4/20 0.61
WDR5 P61964 3/20 0.61
KMT2A Q03164 3/20 0.61
ENGASE Q8NFI3 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SARM1 Q6SZW1 3/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 3/20 0.61

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
SCHEMBL1457476 1.00 ATP4A (0.61) ATP4AATP4BCYP2C9MAPTATP1A1
Dexlansoprazole SCHEMBL29950208 0.90 CYP2C9 (0.63) ATP4AATP4BCYP2C9MAPTATP1A1
Lansoprazole SCHEMBL1559598 0.90 CYP2C9 (0.63) ATP4AATP4BCYP2C9MAPTATP1A1
Dexlansoprazole SCHEMBL29353881 0.90 CYP2C9 (0.63) ATP4AATP4BCYP2C9MAPTATP1A1
Lansoprazole SCHEMBL29358567 0.90 CYP2C9 (0.63) ATP4AATP4BCYP2C9MAPTATP1A1
Lansoprazole SCHEMBL8597994 0.90 CYP2C9 (0.63) ATP4AATP4BCYP2C9MAPTATP1A1
Dexlansoprazole SCHEMBL29750802 0.90 CYP2C9 (0.63) ATP4AATP4BCYP2C9MAPTATP1A1
Lansoprazole SCHEMBL22366 0.90 CYP2C9 (0.63) ATP4AATP4BCYP2C9MAPTATP1A1
Dexlansoprazole SCHEMBL44975 0.90 CYP2C9 (0.63) ATP4AATP4BCYP2C9MAPTATP1A1
Dexlansoprazole SCHEMBL29598842 0.90 CYP2C9 (0.63) ATP4AATP4BCYP2C9MAPTATP1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337525-B8 PROCESS FOR THE CRYSTALLIZATION OF (R)- OR (S)-LANSOPRAZOLE TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
EP-2292612-A2 Crystalline solvated forms of (R)-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole Takeda Pharmaceutical Company Limited (JP) 2011-03-09 EP disclosed
EP-1553929-A2 CONTROLLED RELEASE PREPARATION Takeda Pharmaceutical Company Limited (JP) 2005-07-20 EP disclosed
EP-1513527-A1 PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2004035020-A2 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 WO disclosed
WO-2003105845-A1 PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-24 WO disclosed
EP-1337525-A1 PROCESS FOR THE CRYSTALLIZATION OF (R)- OR (S)-LANSOPRAZOLE Takeda Chemical Industries, Ltd. (JP) 2003-08-27 EP disclosed
WO-2002044167-A1 PROCESS FOR THE CRYSTALLIZATION OF (R)- OR (S)-LANSOPRAZOLE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-06 WO disclosed
WO-1993012817-A1 THERAPEUTIC COMBINATIONS USEFUL IN THE TREATMENT OF GASTROESOPHAGEAL REFLUX DISEASE WARNER-LAMBERT COMPANY (US) 1993-07-08 WO disclosed