Sugi Predict

Sugi Predict / Compounds / SCHEMBL5762958

SCHEMBL5762958

SCHEMBL5762958

COc1ccc(S(=O)(=O)n2c([S+]([O-])Cc3nccc(OCC(F)(F)F)c3C)nc3ccccc32)cc1CCC(=O)OCCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ ALDH3A1 P30838 3/20 0.35
▸ TSHR P16473 4/20 0.34
▸ EGFR P00533 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ WDR5 P61964 2/20 0.32
▸ ENGASE Q8NFI3 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ RAB9A P51151 2/20 0.32

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
SCHEMBL5763137 0.90 MAPT (0.38) MAPTALDH3A1TSHRNOD1KMT2A
SCHEMBL5765385 0.89 MAPT (0.41) MAPTALDH3A1TSHREGFRKMT2A
SCHEMBL5765368 0.89 MAPT (0.41) MAPTALDH3A1TSHREGFRKMT2A
SCHEMBL5765360 0.88 MAPT (0.40) MAPTALDH3A1TSHREGFRKMT2A
SCHEMBL5762524 0.86 MAPT (0.39) MAPTALDH3A1TSHREGFRNOD1
SCHEMBL5760766 0.86 MAPT (0.39) MAPTALDH3A1TSHREGFRKMT2A
SCHEMBL6506982 0.86 MAPT (0.39) MAPTALDH3A1TSHRNOD1KMT2A
SCHEMBL5762080 0.84 MAPT (0.38) MAPTTSHREGFRNOD1KMT2A
SCHEMBL5762027 0.84 MAPT (0.43) MAPTALDH3A1TSHRKMT2ALMNA
SCHEMBL5762041 0.83 MAPT (0.43) MAPTALDH3A1TSHRKMT2ALMNA

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 4100/4885ALDH3A1 474/4885TSHR 2184/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI MAPT 4128/4885ALDH3A1 550/4885TSHR 1929/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPT 4098/4885ALDH3A1 501/4885TSHR 2077/4885

“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.