Sugi Predict

Sugi Predict / Compounds / SCHEMBL5761005

SCHEMBL5761005

SCHEMBL5761005

COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3n2S(=O)(=O)c2cc(C(=O)O)ccc2C)c1C.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.37
▸ DDAH1 O94760 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ IDE P14735 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR2B P41595 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
SCHEMBL5761020 0.99 CYP2C9 (0.37) CYP2C9DDAH1ALDH1A1LMNAHTR1A
SCHEMBL5761011 0.93 GAA (0.38) CYP2C9DDAH1ALDH1A1LMNAHTR1A
SCHEMBL5760914 0.89 ALDH1A1 (0.37) CYP2C9DDAH1ALDH1A1LMNAHTR1A
SCHEMBL2243394 0.89 MAPT (0.43) CYP2C9DDAH1ALDH1A1LMNAADORA3
SCHEMBL13053507 0.88 ALDH1A1 (0.38) CYP2C9DDAH1ALDH1A1LMNAHTR1A
SCHEMBL5760930 0.88 ALDH1A1 (0.38) CYP2C9DDAH1ALDH1A1LMNAHTR1A
SCHEMBL13215253 0.88 MAPT (0.43) CYP2C9DDAH1ALDH1A1LMNAADORA3
SCHEMBL13215378 0.88 MAPT (0.38) CYP2C9DDAH1ALDH1A1LMNAADORA3
SCHEMBL5761743 0.87 MAPT (0.43) CYP2C9DDAH1ALDH1A1LMNAADORA3
SCHEMBL5761630 0.87 NPC1 (0.34) CYP2C9DDAH1ALDH1A1LMNAHTR1A

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 CYP2C9 92/4885DDAH1 518/4885ALDH1A1 397/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885DDAH1 728/4885ALDH1A1 405/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885DDAH1 604/4885ALDH1A1 494/4885

“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.