Omeprazole

Omeprazole

SCHEMBL665194

COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[MgH2]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ATP4AATP4B

The experimentally established mechanism targets of Omeprazole. 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
ATP4A known ✓ P20648 7/20 0.49
ATP4B known ✓ P51164 7/20 0.49
BRS3 P32247 2/20 0.51
KMT2A Q03164 5/20 0.49
ATP1A1 P05023 4/20 0.49
ATP1B1 P05026 4/20 0.49
ATP1A3 P13637 4/20 0.49
ATP1B2 P14415 4/20 0.49
ATP1A2 P50993 4/20 0.49
ATP1B3 P54709 4/20 0.49
FXYD2 P54710 4/20 0.49
ATP1A4 Q13733 4/20 0.49
WDR5 P61964 3/20 0.49
CYP2C9 P11712 2/20 0.49
DDAH1 O94760 2/20 0.49
ENGASE Q8NFI3 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
MAPT P10636 2/20 0.49
CYP2C19 P33261 2/20 0.49

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
Esomeprazole SCHEMBL144577 1.00 BRS3 (0.51) BRS3ATP4AATP4BKMT2AATP1A1
Esomeprazole SCHEMBL28300201 1.00 BRS3 (0.51) BRS3ATP4AATP4BKMT2AATP1A1
Omeprazole SCHEMBL589807 1.00 BRS3 (0.51) BRS3ATP4AATP4BKMT2AATP1A1
Esomeprazole SCHEMBL2484203 0.99 BRS3 (0.50) BRS3ATP4AATP4BKMT2AATP1A1
Omeprazole SCHEMBL1713666 0.99 BRS3 (0.50) BRS3ATP4AATP4BKMT2AATP1A1
Omeprazole SCHEMBL6829013 0.99 BRS3 (0.50) BRS3ATP4AATP4BKMT2AATP1A1
Omeprazole SCHEMBL4371701 0.99 BRS3 (0.50) BRS3ATP4AATP4BKMT2AATP1A1
Esomeprazole SCHEMBL142905 0.99 BRS3 (0.50) BRS3ATP4AATP4BKMT2AATP1A1
Esomeprazole SCHEMBL29002845 0.99 BRS3 (0.50) BRS3ATP4AATP4BKMT2AATP1A1
Omeprazole SCHEMBL28754295 0.99 BRS3 (0.50) BRS3ATP4AATP4BKMT2AATP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889873-B2 Process for the preparation of enantiomerically enriched proton pump inhibitors LEK PHARMACEUTICALS D.D. (SI) 2014-11-18 US disclosed
US-8362259-B2 Process for the preparation of esomeprazole magnesium in a stable form LEK PHARMACEUTICALS, D.D. (SI) 2013-01-29 US disclosed
EP-2114918-B1 PROCESS FOR SOLVENT REMOVAL FROM OMEPRAZOLE SALTS LEK PHARMACEUTICALS (SI) 2012-10-03 EP disclosed
US-8247567-B2 Process for solvent removal from omeprazole salts LEK PHARMACEUTICALS, D.D. (SI) 2012-08-21 US disclosed
US-20120046319-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED PROTON PUMP INHIBITORS LEK PHARMACEUTICALS D.D. (SI) 2012-02-23 US disclosed
US-20110212090-A1 Combinatorial Analysis and Repair DAKO DENMARK A/S 2011-09-01 US disclosed
US-7875723-B2 99.9% By weight of amorphous S-omeprazole magnesium, <0.1% by weight of impurities as determined by liquid chromatography; X-ray powder diffractogram; substantially free of neutral omeprazole; optical purity 94-96% e.e.; anhydrous; industrial scale; materials handling; filterable LEK PHARMACEUTICALS D.D. (SL) 2011-01-25 US disclosed
EP-2264024-A1 Process for the preparation of enantiomerically enriched proton pump inhibitors LEK Pharmaceuticals d.d. (SI) 2010-12-22 EP disclosed
US-20100087652-A1 S-Omeprazole Magnesium LEK PHARMACEUTICALS D.D. (SI) 2010-04-08 US disclosed
EP-2147918-A1 Process for the preparation of S-omeprazole magnesium in a stable form LEK Pharmaceuticals D.D. (SI) 2010-01-27 EP disclosed
US-20100016370-A1 PROCESS FOR THE PREPARATION OF ESOMEPRAZOLE MAGNESIUM IN A STABLE FORM LEK PHARMACEUTICALS D.D. (SI) 2010-01-21 US disclosed
US-7553857-B2 99.9% By weight of amorphous S-omeprazole magnesium, <0.1% by weight of impurities as determined by liquid chromatography; X-ray powder diffractogram; substantially free of neutral omeprazole; optical purity 94-96% e.e.; anhydrous; industrial scale; materials handling; filterable LEK PHARMACEUTICALS D.D. (SI) 2009-06-30 US disclosed
EP-1947099-A1 Process for solvent removal from omeprazole salts LEK Pharmaceuticals D.D. (SI) 2008-07-23 EP disclosed
US-4738974-A Base addition salts of omeprazole AKTIEBOLAGET HASSLE (SE) 1988-04-19 US disclosed
EP-0124495-B1 OMEPRAZOLE SALTS Aktiebolaget Hässle (SE) 1987-01-14 EP disclosed
EP-0124495-A2 Omeprazole salts Aktiebolaget Hässle (SE) 1984-11-07 EP 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 (3 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-20100016370-A1 PROCESS FOR THE PREPARATION OF ESOMEPRAZOLE MAGNESIUM IN A STABLE FORM RPS27A, ATP6AP1, RPS26 ATP4A 423/4885ATP4B 411/4885BRS3 2623/4885
US-20120046319-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED PROTON PUMP INHIBITORS PPOX, HPD, HRH2 ATP4A 100/4885ATP4B 46/4885BRS3 992/4885
US-20100087652-A1 S-Omeprazole Magnesium RPS4X, ELL, RPL41 ATP4A 93/4885ATP4B 127/4885BRS3 2141/4885

“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.