Omeprazole

Omeprazole

SCHEMBL2516731

COc1ccc2nc([S@+]([O-])Cc3ncc(C)c(OC)c3C)[nH]c2c1.O.O

nearest known ligand 0.61

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 6/20 0.59
ATP4B known ✓ P51164 6/20 0.59
BRS3 P32247 2/20 0.61
CYP2C9 P11712 5/20 0.59
ATP1A1 P05023 5/20 0.59
ATP1B1 P05026 5/20 0.59
ATP1A3 P13637 5/20 0.59
ATP1B2 P14415 5/20 0.59
ATP1A2 P50993 5/20 0.59
ATP1B3 P54709 5/20 0.59
FXYD2 P54710 5/20 0.59
ATP1A4 Q13733 5/20 0.59
KMT2A Q03164 4/20 0.59
CYP1A2 P05177 4/20 0.59
CYP3A4 P08684 4/20 0.59
CYP2C19 P33261 4/20 0.59
WDR5 P61964 3/20 0.59
ALDH1A1 P00352 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59

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
Omeprazole SCHEMBL2513318 1.00 BRS3 (0.61) BRS3ATP4AATP4BCYP2C9ATP1A1
Omeprazole SCHEMBL3699669 1.00 BRS3 (0.61) BRS3ATP4AATP4BCYP2C9ATP1A1
Omeprazole SCHEMBL1293092 1.00 BRS3 (0.61) BRS3ATP4AATP4BCYP2C9ATP1A1
Omeprazole SCHEMBL1293130 1.00 BRS3 (0.61) BRS3ATP4AATP4BCYP2C9ATP1A1
Omeprazole SCHEMBL1713670 0.99 BRS3 (0.60) BRS3ATP4AATP4BCYP2C9ATP1A1
Omeprazole SCHEMBL5803198 0.99 BRS3 (0.60) BRS3ATP4AATP4BCYP2C9ATP1A1
Omeprazole SCHEMBL1192 0.99 BRS3 (0.62) BRS3ATP4AATP4BCYP2C9ATP1A1
Omeprazole SCHEMBL29360040 0.99 BRS3 (0.62) BRS3ATP4AATP4BCYP2C9ATP1A1
Omeprazole SCHEMBL29772327 0.99 BRS3 (0.62) BRS3ATP4AATP4BCYP2C9ATP1A1
Esomeprazole SCHEMBL30426884 0.99 BRS3 (0.62) BRS3ATP4AATP4BCYP2C9ATP1A1

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
WO-2009074997-A2 A NOVEL PROCESS FOR THE PREPARATION OF CRYSTALLINE MAGNESIUM SALT OF (S)-OMEPRAZOLE DI HYDRATE LEE PHARMA LTD. (IN) 2009-06-18 WO claimed
CN-101391993-A Process for the preparation of S-omeprazole and its salts by forming an inclusion complex with (S)-(-)-1,1'-binaphthyl-2, 2'-diol SHANGYU SHENGTAI BIOCHEMICAL C (CN) 2009-03-25 CN claimed
CN-102241671-B Precursor phase and use thereof for preparing the magnesium tetrahydrate salt of an omeprazole enantiomer PROD CHIM AUXILIAIRES ET DE SYNTHESE 2014-12-03 CN disclosed
CN-102131799-B Method for splitting omeprazole salts UNIV ROUEN 2014-06-18 CN disclosed
CN-102241671-A Precursor phase and use thereof for preparing the magnesium tetrahydrate salt of an omeprazole enantiomer PROD CHIM AUXILIAIRES ET DE SYNTHESE 2011-11-16 CN disclosed
US-8034948-B2 Method for resolving omeprazole salts UNIVERSITE DE ROUEN (FR) 2011-10-11 US disclosed
CN-102131799-A Method for splitting omeprazole salts UNIV ROUEN 2011-07-20 CN disclosed
EP-2185543-A2 METHOD FOR SPLITTING OMEPRAZOLE SALTS UNIVERSITE DE ROUEN (FR) 2010-05-19 EP disclosed
WO-2009074997-A2 A NOVEL PROCESS FOR THE PREPARATION OF CRYSTALLINE MAGNESIUM SALT OF (S)-OMEPRAZOLE DI HYDRATE LEE PHARMA LTD. (IN) 2009-06-18 WO disclosed
US-20090124811-A1 Method for resolving omeprazole salts UNIVERSITE DE ROUEN (FR) 2009-05-14 US disclosed
CN-101391993-A Process for the preparation of S-omeprazole and its salts by forming an inclusion complex with (S)-(-)-1,1'-binaphthyl-2, 2'-diol SHANGYU SHENGTAI BIOCHEMICAL C (CN) 2009-03-25 CN disclosed
WO-2009027614-A2 METHOD FOR SPLITTING OMEPRAZOLE SALTS UNIVERSITE DE ROUEN (FR) 2009-03-05 WO disclosed
CN-100378093-C Process for the preparation of an optically pure or optically concentrated sulphoxide compound comprising amorphous esomeprazole and its salts REDDY LAB (IN) 2008-04-02 CN disclosed
CN-1665805-A Process for the preparation of an optically pure or optically concentrated sulphoxide compound comprising amorphous esomeprazole and its salts REDDY LAB (IN) 2005-09-07 CN disclosed
CN-1161351-C Novel form of S-omeprazole 2004-08-11 CN disclosed
CN-1258295-A Novel form of S-omeprazole ASTRA AB (SE) 2000-06-28 CN 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 (1 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-20090124811-A1 Method for resolving omeprazole salts VKORC1, SI, VKORC1L1 ATP4A 559/4885ATP4B 608/4885BRS3 514/4885

“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.