SCHEMBL5761706

SCHEMBL5761706

COc1ccc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3cc(C(=O)OCCS(=O)(=O)c4ccc(C)cc4)ccc3C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.37
MAPT P10636 5/20 0.33
KMT2A Q03164 3/20 0.33
WDR5 P61964 2/20 0.33
BRS3 P32247 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DDAH1 O94760 1/20 0.33
ABCB11 O95342 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
CHRM2 P08172 1/20 0.33
ABCB1 P08183 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
ATP1A3 P13637 1/20 0.33

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
SCHEMBL5761974 0.95 CYP2C9 (0.36) CYP2C9MAPTKMT2AWDR5BRS3
SCHEMBL5761903 0.92 CYP2C9 (0.38) CYP2C9MAPTKMT2AWDR5BRS3
SCHEMBL5362269 0.90 CYP2C9 (0.35) CYP2C9MAPTKMT2AWDR5BRS3
SCHEMBL5762125 0.88 CYP2C9 (0.38) CYP2C9MAPTKMT2AWDR5BRS3
SCHEMBL5760713 0.88 CYP2C9 (0.40) CYP2C9MAPTKMT2AWDR5BRS3
SCHEMBL5760706 0.87 CYP2C9 (0.41) CYP2C9MAPTKMT2AWDR5BRS3
SCHEMBL6477928 0.87 CYP2C9 (0.39) CYP2C9MAPTKMT2AWDR5BRS3
SCHEMBL5760701 0.86 CYP2C9 (0.40) CYP2C9MAPTKMT2AWDR5BRS3
SCHEMBL5760955 0.86 CYP2C9 (0.36) CYP2C9MAPTKMT2AWDR5BRS3
SCHEMBL7012965 0.84 CYP2C9 (0.46) CYP2C9MAPTKMT2AWDR5BRS3

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 7 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
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP 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
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO 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 92/4885MAPT 4100/4885KMT2A 2483/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885MAPT 4128/4885KMT2A 2592/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885MAPT 4098/4885KMT2A 2545/4885

“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.