Sugi Predict

Sugi Predict / Compounds / SCHEMBL5762238

SCHEMBL5762238

SCHEMBL5762238

COc1ccc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3cccc(C(=O)O)c3)c2c1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.40
▸ PPARG P37231 11/20 0.39
▸ AKR1C3 P42330 2/20 0.38
▸ BRS3 P32247 2/20 0.38
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ WDR5 P61964 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ DDAH1 O94760 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ATP1A1 P05023 1/20 0.37
▸ ATP1B1 P05026 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ MAPT P10636 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
SCHEMBL5762257 0.99 CYP2C9 (0.41) CYP2C9PPARGAKR1C3BRS3PPARD
SCHEMBL5762701 0.94 CYP2C9 (0.39) CYP2C9PPARGAKR1C3BRS3PPARD
SCHEMBL5762242 0.93 CYP2C9 (0.41) CYP2C9PPARGAKR1C3BRS3PPARD
SCHEMBL5762716 0.93 CYP2C9 (0.39) CYP2C9PPARGAKR1C3BRS3PPARD
SCHEMBL5761891 0.93 CYP2C9 (0.39) CYP2C9PPARGAKR1C3BRS3PPARD
SCHEMBL7231172 0.91 CYP2C9 (0.45) CYP2C9BRS3KMT2AWDR5KDM4E
SCHEMBL7012878 0.90 CYP2C9 (0.45) CYP2C9BRS3KMT2AWDR5KDM4E
SCHEMBL5760701 0.90 CYP2C9 (0.40) CYP2C9PPARGBRS3KMT2AWDR5
SCHEMBL5760713 0.90 CYP2C9 (0.40) CYP2C9PPARGBRS3KMT2AWDR5
SCHEMBL7225643 0.88 CYP2C9 (0.43) CYP2C9BRS3KMT2AWDR5KDM4E

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 92/4885PPARG 2112/4885AKR1C3 1426/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885PPARG 2376/4885AKR1C3 850/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885PPARG 1908/4885AKR1C3 1504/4885

“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.