Sugi Predict

Sugi Predict / Compounds / SCHEMBL5763486

SCHEMBL5763486

SCHEMBL5763486

Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2n1S(=O)(=O)c1ccc(OCC(=O)O)cc1C(C)C.[Na]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ PSEN1 P49768 8/20 0.37
▸ PSEN2 P49810 8/20 0.37
▸ APH1B Q8WW43 8/20 0.37
▸ NCSTN Q92542 8/20 0.37
▸ APH1A Q96BI3 8/20 0.37
▸ PSENEN Q9NZ42 8/20 0.37
▸ TSHR P16473 3/20 0.34
▸ WDR5 P61964 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ENGASE Q8NFI3 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL5763457 0.99 MAPT (0.40) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5763465 0.94 MAPT (0.40) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5760967 0.91 MAPT (0.35) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5762464 0.90 MAPT (0.39) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5760941 0.90 MAPT (0.35) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5760383 0.89 MAPT (0.44) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL13138459 0.89 MAPT (0.44) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5762441 0.89 MAPT (0.39) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5760364 0.88 MAPT (0.44) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5760950 0.88 MAPT (0.35) MAPTTSHRWDR5KMT2AENGASE

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 MAPT 4100/4885PSEN1 2674/4885PSEN2 3583/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI MAPT 4128/4885PSEN1 2803/4885PSEN2 3532/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPT 4098/4885PSEN1 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.