SCHEMBL5366934

SCHEMBL5366934

COc1ccc2[nH]c(S(=O)(=O)c3ccc(OCC(=O)OCCS(=O)(=O)c4ccc(C)cc4)c(OCC(=O)OCCS(=O)(=O)c4ccc(C)cc4)c3)nc2c1[S+]([O-])Cc1ncc(C)c(OC)c1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL5366970 0.90 CYP2C9 (0.39) CYP2C9TP53POLBMAPTKDM4E
SCHEMBL5361964 0.86 CYP2C9 (0.38) CYP2C9TP53POLBMAPTKDM4E
SCHEMBL5361986 0.78 CYP2C9 (0.39) CYP2C9TP53POLBMAPTKDM4E
SCHEMBL5763545 0.75 CYP2C9 (0.37) CYP2C9TP53POLBMAPTKDM4E
SCHEMBL5762088 0.75 CYP2C9 (0.36) CYP2C9POLBMAPTKDM4EALDH1A1
SCHEMBL5368039 0.75 CYP2C9 (0.33) CYP2C9ALDH1A1PAX8
SCHEMBL5362262 0.74 CYP2C9 (0.34) CYP2C9MAPTKDM4EALDH1A1HPGD
SCHEMBL5359769 0.74 PAX8 (0.37) TP53POLBMAPTKDM4EALDH1A1
SCHEMBL5368298 0.72 CYP2C9 (0.34) CYP2C9MAPTKDM4EALDH1A1HPGD
SCHEMBL5368056 0.71 CYP2C9 (0.35) CYP2C9TP53MAPTKDM4EALDH1A1

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 92/4885TP53 1314/4885POLB 3596/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 CYP2C9 59/4885TP53 3287/4885POLB 1255/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885TP53 913/4885POLB 3578/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885TP53 1233/4885POLB 3580/4885

“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.