SCHEMBL5763543

SCHEMBL5763543

Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2n1S(=O)(=O)c1ccc(OCC(=O)NCCCC(=O)OCCS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
EGFR P00533 1/20 0.30
MAPT P10636 2/20 0.30

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
SCHEMBL6506956 0.91 HPGD (0.33) HPGDALDH1A1MAPT
SCHEMBL5763755 0.91 HPGD (0.36) HPGDALDH1A1PSEN1PSEN2APH1B
SCHEMBL5760528 0.89 HPGD (0.34) HPGDALDH1A1EGFRMAPT
SCHEMBL5763795 0.88 HPGD (0.33) HPGDALDH1A1PSEN1PSEN2APH1B
SCHEMBL5760967 0.87 MAPT (0.35) HPGDALDH1A1PSEN1PSEN2APH1B
SCHEMBL5760950 0.86 MAPT (0.35) HPGDALDH1A1EGFRMAPT
SCHEMBL5760941 0.86 MAPT (0.35) HPGDALDH1A1PSEN1PSEN2APH1B
SCHEMBL5761896 0.83 ALDH1A1 (0.32) HPGDALDH1A1MAPT
SCHEMBL5763486 0.81 MAPT (0.40) HPGDALDH1A1PSEN1PSEN2APH1B
SCHEMBL5762670 0.80 MAPT (0.36) HPGDALDH1A1PSEN1PSEN2APH1B

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 6 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
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP 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
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO 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 (2 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 HPGD 127/4885ALDH1A1 397/4885PSEN1 2674/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI HPGD 97/4885ALDH1A1 405/4885PSEN1 2803/4885

“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.