Sugi Predict

Sugi Predict / Compounds / SCHEMBL5760766

SCHEMBL5760766

SCHEMBL5760766

Cc1c(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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ TSHR P16473 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ WDR5 P61964 2/20 0.33
▸ ENGASE Q8NFI3 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SARM1 Q6SZW1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ DDAH1 O94760 1/20 0.33
▸ ATP1A1 P05023 1/20 0.33
▸ ATP1B1 P05026 1/20 0.33

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
SCHEMBL6264805 0.93 TSHR (0.33) MAPTTSHRGAAALDH3A1
SCHEMBL5762167 0.89 MAPT (0.43) MAPTTSHRGAAKMT2AWDR5
SCHEMBL5762524 0.89 MAPT (0.39) MAPTTSHRGAAKMT2AWDR5
SCHEMBL7222960 0.87 MAPT (0.43) MAPTTSHRGAAKMT2AWDR5
SCHEMBL5762080 0.87 MAPT (0.38) MAPTTSHRGAAKMT2AWDR5
SCHEMBL6506982 0.86 MAPT (0.39) MAPTTSHRGAAKMT2AWDR5
SCHEMBL5762958 0.86 MAPT (0.37) MAPTTSHRGAAKMT2AWDR5
SCHEMBL5763137 0.85 MAPT (0.38) MAPTTSHRGAAKMT2AWDR5
SCHEMBL7014253 0.84 MAPT (0.50) MAPTTSHRGAAKMT2AWDR5
SCHEMBL6224828 0.83 MAPT (0.42) MAPTTSHRGAAKMT2AWDR5

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 4100/4885TSHR 2184/4885GAA 83/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI MAPT 4128/4885TSHR 1929/4885GAA 69/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPT 4098/4885TSHR 2077/4885GAA 80/4885

“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.