Sugi Predict

Sugi Predict / Compounds / SCHEMBL5762005

SCHEMBL5762005

SCHEMBL5762005

Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2n1S(=O)(=O)c1cccc(C(=O)O)c1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TSHR P16473 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ WDR5 P61964 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ENGASE Q8NFI3 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ SARM1 Q6SZW1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ DDAH1 O94760 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL5763367 0.99 MAPT (0.44) MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5761996 0.93 MAPT (0.44) MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL7014253 0.90 MAPT (0.50) MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5761743 0.89 MAPT (0.43) MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL2243394 0.89 MAPT (0.43) MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL7011805 0.89 MAPT (0.46) MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5762024 0.89 MAPT (0.42) MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5760914 0.88 ALDH1A1 (0.37) MAPTNPC1CYP2C9RAB9ATSHR
SCHEMBL13215253 0.88 MAPT (0.43) MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5763258 0.88 MAPT (0.42) MAPTNPC1CYP1A2CYP3A4CYP2D6

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 4100/4885NPC1 481/4885CYP1A2 180/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI MAPT 4128/4885NPC1 374/4885CYP1A2 121/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPT 4098/4885NPC1 570/4885CYP1A2 166/4885

“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.