Lansoprazole Sulfide

Lansoprazole Sulfide

SCHEMBL1680900

Cc1c(OCC(F)(F)F)ccnc1CSc1nc2ccccc2[nH]1.O

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Lansoprazole Sulfide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 known ✓ P0DMS8 1/20 0.62
ATP4A known ✓ P20648 1/20 0.62
DRD4 known ✓ P21917 1/20 0.62
TACR1 known ✓ P25103 1/20 0.62
ADORA1 known ✓ P30542 1/20 0.62
OPRM1 known ✓ P35372 1/20 0.62
OPRD1 known ✓ P41143 1/20 0.62
OPRK1 known ✓ P41145 1/20 0.62
HTR3A known ✓ P46098 1/20 0.62
ATP4B known ✓ P51164 1/20 0.62
GHSR known ✓ Q92847 1/20 0.62
MEN1 known ✓ O00255 2/20 0.45
RAB9A P51151 8/20 0.98
NPC1 O15118 7/20 0.98
CYP1A2 P05177 3/20 0.98
CYP2D6 P10635 3/20 0.98
CYP2C9 P11712 3/20 0.98
CYP2C19 P33261 3/20 0.98
CYP3A4 P08684 2/20 0.98
KMT2A Q03164 5/20 0.62

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
Lansoprazole Sulfide SCHEMBL106519 0.99 RAB9A (1.00) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL30053816 0.99 RAB9A (1.00) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL6948284 0.98 RAB9A (0.98) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL1681186 0.98 RAB9A (0.98) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL1681462 0.94 RAB9A (0.90) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL8184520 0.93 RAB9A (0.89) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Water SCHEMBL6737289 0.92 RAB9A (0.83) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Water SCHEMBL6737292 0.92 RAB9A (0.83) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL29323856 0.92 RAB9A (0.86) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6440543 0.91 RAB9A (0.85) RAB9ANPC1CYP1A2CYP2D6CYP2C9

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308492-B1 Process for preparing lansoprazole KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2016-09-14 EP disclosed
US-9346783-B2 Method and apparatus for producing oxidized compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20140100370-A1 METHOD AND APPARATUS FOR PRODUCING OXIDIZED COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-10 US disclosed
US-8592598-B2 Method of producing a crystal of an imidazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2264025-B1 Method for producing lansoprazole TAKEDA PHARMACEUTICAL (JP) 2013-11-06 EP disclosed
EP-1790647-B1 METHOD FOR PRODUCING OXIDIZED COMPOUND TAKEDA PHARMACEUTICAL (JP) 2013-05-08 EP disclosed
US-20130012714-A1 NOVEL SOLVATE OF DEXLANSOPRAZOLE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-01-10 US disclosed
EP-1337525-B8 PROCESS FOR THE CRYSTALLIZATION OF (R)- OR (S)-LANSOPRAZOLE TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
WO-2011098938-A1 NOVEL SOLVATE OF DEXLANSOPRAZOLE ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-08-18 WO disclosed
EP-2345650-A1 Amorphous (R)-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole as anti-ulcer agent Takeda Pharmaceutical Company Limited (JP) 2011-07-20 EP disclosed
EP-1790647-A1 METHOD AND APPARATUS FOR PRODUCING OXIDIZED COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed
EP-1681056-A1 Process for preparing lansoprazole Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2006-07-19 EP disclosed
EP-1476441-A1 A METHOD OF ELIMINATING SULFONE ANALOG IN THE SYNTHESIS OF PYRIDINE-BENZIMIDAZOLE SULFOXIDES Ulkar Kimya Sanayii Ve Ticaret A.S. (TR) 2004-11-17 EP disclosed
US-20040049045-A1 Process for the crystallization of (r)-or (s)-lansoprazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1337525-A1 PROCESS FOR THE CRYSTALLIZATION OF (R)- OR (S)-LANSOPRAZOLE Takeda Chemical Industries, Ltd. (JP) 2003-08-27 EP disclosed
WO-2003062223-A1 A METHOD OF ELIMINATING SULFONE ANALOG IN THE SYNTHESIS OF PYRIDINE-BENZIMIDAZOLE SULFOXIDES ULKAR KIMYA SANAYII VE TICARET ANONIM SIRKETI (TR) 2003-07-31 WO disclosed
EP-0944617-B1 CRYSTALS OF BENZIMIDAZOLE DERIVATIVES AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 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-2001021617-A1 PROCESS FOR PREPARING SULFOXIDE COMPOUNDS DAEWOONG PHARM CO., LTD. (KR) 2001-03-29 WO disclosed
US-6002011-A Crystals of benzimidazole derivatives and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140100370-A1 METHOD AND APPARATUS FOR PRODUCING OXIDIZED COMPOUND AOX1, PPOX, SCO2 ADORA3 4039/4885ATP4A 4023/4885DRD4 1420/4885
US-20130012714-A1 NOVEL SOLVATE OF DEXLANSOPRAZOLE CYP2D6, CYP2S1, CYP2F1 ADORA3 1222/4885ATP4A 1875/4885DRD4 161/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.