SCHEMBL5763679

SCHEMBL5763679

COc1ccc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccc(OCC(=O)O)c(OCC(=O)O)c3)c2c1.[NaH].[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 3/20 0.36
WDR5 P61964 2/20 0.36
BRS3 P32247 2/20 0.36
ATP1A1 P05023 2/20 0.36
ATP1B1 P05026 2/20 0.36
ATP1A3 P13637 2/20 0.36
ATP1B2 P14415 2/20 0.36
ATP4A P20648 2/20 0.36
ATP1A2 P50993 2/20 0.36
ATP4B P51164 2/20 0.36
ATP1B3 P54709 2/20 0.36
FXYD2 P54710 2/20 0.36
ATP1A4 Q13733 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DDAH1 O94760 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL5763690 0.99 CYP2C9 (0.40) CYP2C9KMT2AWDR5BRS3ATP1A1
SCHEMBL5763445 0.94 CYP2C9 (0.38) CYP2C9KMT2AWDR5BRS3ATP1A1
SCHEMBL5763833 0.94 CYP2C9 (0.38) CYP2C9KMT2AWDR5BRS3ATP1A1
SCHEMBL5763682 0.93 CYP2C9 (0.40) CYP2C9KMT2AWDR5BRS3ATP1A1
SCHEMBL14356233 0.93 CYP2C9 (0.39) CYP2C9KMT2AWDR5BRS3ATP1A1
SCHEMBL5763455 0.93 CYP2C9 (0.39) CYP2C9KMT2AWDR5BRS3ATP1A1
SCHEMBL5763843 0.93 CYP2C9 (0.39) CYP2C9KMT2AWDR5BRS3ATP1A1
SCHEMBL7231352 0.93 CYP2C9 (0.40) CYP2C9KMT2AWDR5BRS3ATP1A1
SCHEMBL5367365 0.93 CYP2C9 (0.42) CYP2C9KMT2AWDR5BRS3ATP1A1
SCHEMBL5763595 0.92 CYP2C9 (0.42) CYP2C9KMT2AWDR5BRS3ATP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 US disclosed
US-6897227-B2 Prodrugs of proton pump inhibitors Winston Pharmaceuticals, Inc. (US) 2005-05-24 US disclosed
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 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-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 92/4885KMT2A 2483/4885WDR5 4151/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885KMT2A 2592/4885WDR5 4273/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885KMT2A 2545/4885WDR5 4163/4885

“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.