Sugi Predict

Sugi Predict / Compounds / SCHEMBL6264805

SCHEMBL6264805

SCHEMBL6264805

CS(=O)(=O)c1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2n1S(=O)(=O)c1ccc(OCC(=O)OCCS(=O)(=O)c2ccccc2)c(OCC(=O)OCCS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ ALDH3A1 P30838 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
SCHEMBL5760766 0.93 MAPT (0.39) TSHRGAAMAPTALDH3A1
SCHEMBL6264813 0.82 GAA (0.33) TSHRGAAMAPT
SCHEMBL5762524 0.82 MAPT (0.39) TSHRGAAMAPTALDH3A1
SCHEMBL5762167 0.82 MAPT (0.43) TSHRGAAMAPTALDH3A1
SCHEMBL5762080 0.81 MAPT (0.38) TSHRGAAMAPT
SCHEMBL7222960 0.80 MAPT (0.43) TSHRGAAMAPTALDH3A1
SCHEMBL5762958 0.79 MAPT (0.37) TSHRGAAMAPTALDH3A1
SCHEMBL6506982 0.79 MAPT (0.39) TSHRGAAMAPTALDH3A1
SCHEMBL5763137 0.78 MAPT (0.38) TSHRGAAMAPTALDH3A1
SCHEMBL5760771 0.78 MAPT (0.35) TSHRGAAMAPT

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
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 — — EP disclosed
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 — — WO disclosed