Sugi Predict

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SCHEMBL5763595

SCHEMBL5763595

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.42
▸ PSEN1 P49768 6/20 0.40
▸ PSEN2 P49810 6/20 0.40
▸ APH1B Q8WW43 6/20 0.40
▸ NCSTN Q92542 6/20 0.40
▸ APH1A Q96BI3 6/20 0.40
▸ PSENEN Q9NZ42 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ WDR5 P61964 2/20 0.39
▸ BRS3 P32247 2/20 0.39
▸ MCL1 Q07820 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
SCHEMBL5332710 1.00 CYP2C9 (0.42) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL5332714 1.00 CYP2C9 (0.42) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL5367365 0.99 CYP2C9 (0.42) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL5760796 0.94 CYP2C9 (0.42) CYP2C9PSEN1PSEN2APH1BNCSTN
Agn-201904 SCHEMBL5330690 0.94 CYP2C9 (0.41) CYP2C9PSEN1PSEN2APH1BNCSTN
Agn-201904 SCHEMBL2245875 0.94 CYP2C9 (0.41) CYP2C9PSEN1PSEN2APH1BNCSTN
Agn-201904 SCHEMBL29596867 0.94 CYP2C9 (0.41) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL5763585 0.94 CYP2C9 (0.42) CYP2C9PSEN1PSEN2APH1BNCSTN
Agn-201904 SCHEMBL5764653 0.94 CYP2C9 (0.41) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL14495759 0.93 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 5 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
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

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 92/4885PSEN1 2674/4885PSEN2 3583/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885PSEN1 2803/4885PSEN2 3532/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885PSEN1 3008/4885PSEN2 3605/4885

“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.