SCHEMBL5366970

SCHEMBL5366970

COc1ccc2nc(S(=O)(=O)c3ccc(OCC(=O)OCCS(=O)(=O)c4ccc(C)cc4)c(OCC(=O)OCCS(=O)(=O)c4ccc(C)cc4)c3)[nH]c2c1[S+]([O-])Cc1ncc(C)c(OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.39
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
PAX8 Q06710 1/20 0.31
WDR5 P61964 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
DDAH1 O94760 1/20 0.30
ABCB11 O95342 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ATP1A1 P05023 1/20 0.30
ATP1B1 P05026 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
ABCB1 P08183 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
ATP1A3 P13637 1/20 0.30

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
SCHEMBL5366934 0.90 CYP2C9 (0.37) CYP2C9MAPTTP53POLBPAX8
SCHEMBL5361986 0.86 CYP2C9 (0.39) CYP2C9MAPTTP53POLBPAX8
SCHEMBL5361964 0.78 CYP2C9 (0.38) CYP2C9MAPTTP53POLBPAX8
SCHEMBL5763545 0.78 CYP2C9 (0.37) CYP2C9MAPTTP53POLBWDR5
SCHEMBL5762088 0.77 CYP2C9 (0.36) CYP2C9MAPTPOLBWDR5KMT2A
SCHEMBL5368056 0.76 CYP2C9 (0.35) CYP2C9MAPTTP53PAX8WDR5
SCHEMBL5362274 0.74 CYP2C9 (0.36) CYP2C9MAPTPAX8WDR5KMT2A
SCHEMBL5359778 0.74 PAX8 (0.37) MAPTTP53POLBPAX8KMT2A
SCHEMBL5368304 0.72 CYP2C9 (0.36) CYP2C9MAPTPAX8WDR5KMT2A
SCHEMBL6477928 0.72 CYP2C9 (0.39) CYP2C9MAPTTP53WDR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 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
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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 (4 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 92/4885MAPT 4100/4885TP53 1314/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 CYP2C9 59/4885MAPT 4649/4885TP53 3287/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885MAPT 4128/4885TP53 913/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885MAPT 4098/4885TP53 1233/4885

“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.