Omeprazole

Omeprazole

SCHEMBL13645270

[2H]c1nc(C[S+]([O-])c2nc3ccc(OC)cc3[nH]2)c(C([2H])([2H])[2H])c(OC([2H])([2H])[2H])c1C([2H])([2H])[2H]

nearest known ligand 0.40

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 3/20 0.39
ATP4B known ✓ P51164 3/20 0.39
BRS3 P32247 3/20 0.40
CYP2C9 P11712 9/20 0.39
CYP1A2 P05177 8/20 0.39
CYP3A4 P08684 8/20 0.39
CYP2C19 P33261 8/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
WDR5 P61964 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ATP1A1 P05023 2/20 0.39
ATP1B1 P05026 2/20 0.39
ATP1A3 P13637 2/20 0.39
ATP1B2 P14415 2/20 0.39
ATP1A2 P50993 2/20 0.39
ATP1B3 P54709 2/20 0.39

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 SCHEMBL13411612 0.98 BRS3 (0.38) BRS3CYP2C9CYP1A2CYP3A4CYP2C19
Omeprazole SCHEMBL13645146 0.97 BRS3 (0.41) BRS3CYP2C9CYP1A2CYP3A4CYP2C19
Omeprazole SCHEMBL13411581 0.96 BRS3 (0.43) BRS3CYP2C9CYP1A2CYP3A4CYP2C19
Omeprazole SCHEMBL13645385 0.93 BRS3 (0.33) BRS3CYP2C9CYP1A2CYP3A4CYP2C19
Omeprazole SCHEMBL13729146 0.92 BRS3 (0.40) BRS3CYP2C9CYP1A2CYP3A4CYP2C19
Omeprazole SCHEMBL13645245 0.91 BRS3 (0.30) BRS3
Omeprazole SCHEMBL13645427 0.91 BRS3 (0.30) BRS3
Omeprazole SCHEMBL13645390 0.91 BRS3 (0.30) BRS3
Omeprazole SCHEMBL13727877 0.90 BRS3 (0.37) BRS3CYP2C9CYP1A2CYP3A4CYP2C19
Omeprazole SCHEMBL13729475 0.90 BRS3 (0.33) BRS3CYP2C9CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598273-B2 Inhibitors of the gastric H+, K+-ATPase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC (US) 2009-10-06 US disclosed
US-20090215831-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 US disclosed
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-04-12 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 (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-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES ATP4A, ATP6V1G1, ATP6V1E1 ATP4A 1/4885ATP4B 12/4885BRS3 2346/4885
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties ATP4A, ATP6V1G1, ATP6V1E1 ATP4A 1/4885ATP4B 12/4885BRS3 2346/4885
US-20090215831-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES ATP4A, ATP6V1G1, ATP6V1E1 ATP4A 1/4885ATP4B 12/4885BRS3 2346/4885

“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.