SCHEMBL5366904

SCHEMBL5366904

COc1ccc2c(c1)=NC([S+]([O-])Cc1ncc(C)c(OC)c1C)(S(=O)(=O)c1ccc(OCC(C)(C)C(=O)O)cc1)N=2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
WDR5 P61964 2/20 0.33
BRS3 P32247 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DDAH1 O94760 1/20 0.33
ABCB11 O95342 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
CHRM1 P11229 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 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
SCHEMBL5367178 0.99 CYP2C9 (0.36) CYP2C9KMT2AMEN1WDR5BRS3
SCHEMBL5370623 0.87 MAPK1 (0.39) CYP2C9KMT2AMEN1WDR5BRS3
SCHEMBL5368037 0.78 ALDH1A1 (0.37) CYP2C9KMT2AALDH1A1MAPT
SCHEMBL5366920 0.77 KMT2A (0.39) CYP2C9KMT2AMEN1WDR5BRS3
SCHEMBL5763544 0.77 KMT2A (0.39) CYP2C9KMT2AMEN1WDR5BRS3
SCHEMBL5446479 0.77 BRS3 (0.37) CYP2C9KMT2AMEN1WDR5BRS3
SCHEMBL5360440 0.77 KMT2A (0.38) CYP2C9KMT2AMEN1WDR5BRS3
SCHEMBL5367198 0.77 KMT2A (0.38) CYP2C9KMT2AMEN1WDR5BRS3
SCHEMBL14356232 0.73 CYP2C9 (0.39) CYP2C9KMT2AMEN1WDR5BRS3
SCHEMBL5320866 0.71 CYP2C9 (0.40) CYP2C9KMT2AMEN1WDR5BRS3

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 2 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
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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 (1 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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 CYP2C9 59/4885KMT2A 1672/4885MEN1 2438/4885

“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.