SCHEMBL5761896

SCHEMBL5761896

Cc1cc(OCC(=O)NC(CCC(=O)OCCS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)OCCS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1S(=O)(=O)n1c([S+]([O-])Cc2nccc(OCC(F)(F)F)c2C)nc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.31

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
SCHEMBL5760528 0.91 HPGD (0.34) ALDH1A1HPGDMAPT
SCHEMBL5761910 0.90 PSEN1 (0.31) HPGD
SCHEMBL5763755 0.85 HPGD (0.36) ALDH1A1HPGDMAPT
SCHEMBL6506956 0.84 HPGD (0.33) ALDH1A1HPGDMAPT
SCHEMBL6484341 0.84 MAPT (0.37) ALDH1A1HPGDMAPT
SCHEMBL5762080 0.83 MAPT (0.38) ALDH1A1HPGDMAPT
SCHEMBL5763543 0.83 HPGD (0.33) ALDH1A1HPGDMAPT
SCHEMBL6484319 0.82 MAPT (0.37) ALDH1A1HPGDMAPT
SCHEMBL6484309 0.82 MAPT (0.37) ALDH1A1HPGDMAPT
SCHEMBL5762670 0.82 MAPT (0.36) ALDH1A1HPGDMAPT

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 ALDH1A1 397/4885HPGD 127/4885MAPT 4100/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI ALDH1A1 405/4885HPGD 97/4885MAPT 4128/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI ALDH1A1 494/4885HPGD 118/4885MAPT 4098/4885

“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.