Sugi Predict

Sugi Predict / Compounds / Omeprazole

Omeprazole

Omeprazole

SCHEMBL13645431

[2H]c1nc(C([2H])([2H])[S+]([O-])c2nc3cc(OC([2H])([2H])[2H])ccc3[nH]2)c(C([2H])([2H])[2H])c(OC([2H])([2H])[2H])c1C([2H])([2H])[2H]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL13645434 0.98 BRS3 (0.33) —
Omeprazole SCHEMBL13645363 0.97 BRS3 (0.33) —
Omeprazole SCHEMBL13645509 0.94 BRS3 (0.35) —
Omeprazole SCHEMBL13727877 0.93 BRS3 (0.37) —
Omeprazole SCHEMBL13645390 0.92 BRS3 (0.30) —
Omeprazole SCHEMBL13645245 0.92 BRS3 (0.30) —
Omeprazole SCHEMBL13645427 0.92 BRS3 (0.30) —
Omeprazole SCHEMBL13729146 0.91 BRS3 (0.40) —
Omeprazole SCHEMBL13645385 0.90 BRS3 (0.33) —
Omeprazole SCHEMBL13645373 0.90 BRS3 (0.40) —

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