SCHEMBL5358476

SCHEMBL5358476

COc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)nc2c1S(=O)(=O)c1ccc(OCC(N)=O)c(OCC(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.49
CYP2C9 P11712 2/20 0.39
ENPP1 P22413 11/20 0.38
SHMT2 P34897 1/20 0.35
THRB P10828 1/20 0.35
WDR5 P61964 2/20 0.34
KMT2A Q03164 2/20 0.34
ATP1A1 P05023 2/20 0.34
ATP1B1 P05026 2/20 0.34
ATP1A3 P13637 2/20 0.34
ATP1B2 P14415 2/20 0.34
ATP4A P20648 2/20 0.34
ATP1A2 P50993 2/20 0.34
ATP4B P51164 2/20 0.34
ATP1B3 P54709 2/20 0.34
FXYD2 P54710 2/20 0.34
ATP1A4 Q13733 2/20 0.34
DDAH1 O94760 2/20 0.34
ENGASE Q8NFI3 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL5367604 0.92 BRS3 (0.51) BRS3CYP2C9ENPP1SHMT2THRB
SCHEMBL5358488 0.88 BRS3 (0.51) BRS3CYP2C9ENPP1SHMT2WDR5
SCHEMBL5363676 0.82 BRS3 (0.52) BRS3CYP2C9ENPP1SHMT2WDR5
SCHEMBL5725280 0.82 BRS3 (0.55) BRS3CYP2C9ENPP1SHMT2THRB
SCHEMBL5446484 0.80 BRS3 (0.49) BRS3CYP2C9ENPP1SHMT2WDR5
SCHEMBL5365323 0.80 BRS3 (0.56) BRS3CYP2C9ENPP1SHMT2THRB
SCHEMBL5367613 0.80 BRS3 (0.53) BRS3CYP2C9SHMT2WDR5KMT2A
SCHEMBL6505209 0.79 BRS3 (0.50) BRS3CYP2C9ENPP1SHMT2WDR5
SCHEMBL5358420 0.78 BRS3 (0.44) BRS3CYP2C9ENPP1SHMT2WDR5
SCHEMBL5369638 0.77 BRS3 (0.43) BRS3CYP2C9ENPP1SHMT2WDR5

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 BRS3 186/4885CYP2C9 59/4885ENPP1 283/4885

“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.