SCHEMBL6478121

SCHEMBL6478121

COc1ccc2nc(S(=O)(=O)Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccc(OCC(=O)O)cc3)c2c1.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.51
PSEN1 P49768 6/20 0.41
PSEN2 P49810 6/20 0.41
APH1B Q8WW43 6/20 0.41
NCSTN Q92542 6/20 0.41
APH1A Q96BI3 6/20 0.41
PSENEN Q9NZ42 6/20 0.41
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
WDR5 P61964 2/20 0.39
BRS3 P32247 2/20 0.39
MCL1 Q07820 2/20 0.39
HTT P42858 2/20 0.39
ATP1A1 P05023 2/20 0.39
ATP1B1 P05026 2/20 0.39
ATP1A3 P13637 2/20 0.39
ATP1B2 P14415 2/20 0.39
ATP4A P20648 2/20 0.39
ATP1A2 P50993 2/20 0.39
ATP4B P51164 2/20 0.39

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
SCHEMBL5360268 0.93 CYP2C9 (0.49) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL5370500 0.85 CYP2C9 (0.49) CYP2C9KMT2AALDH1A1WDR5BRS3
SCHEMBL5367365 0.84 CYP2C9 (0.42) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL5332714 0.83 CYP2C9 (0.42) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL5332710 0.83 CYP2C9 (0.42) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL5763595 0.83 CYP2C9 (0.42) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL7841398 0.80 CYP2C9 (0.41) CYP2C9KMT2AALDH1A1WDR5BRS3
SCHEMBL7016039 0.79 CYP2C9 (0.51) CYP2C9PSEN1PSEN2APH1BNCSTN
Agn-201904 SCHEMBL5764638 0.78 CYP2C9 (0.40) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL5760796 0.78 CYP2C9 (0.42) CYP2C9PSEN1PSEN2APH1BNCSTN

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-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

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-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 92/4885PSEN1 2674/4885PSEN2 3583/4885

“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.