Sugi Predict

Sugi Predict / Compounds / SCHEMBL5762701

SCHEMBL5762701

SCHEMBL5762701

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1cccc(C(=O)O)c1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ AKR1C3 P42330 4/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ BRS3 P32247 2/20 0.36
▸ PPARG P37231 4/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ WDR5 P61964 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ DDAH1 O94760 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ATP1A1 P05023 1/20 0.35
▸ ATP1B1 P05026 1/20 0.35

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
SCHEMBL5762716 0.99 CYP2C9 (0.39) CYP2C9THRBAKR1C3KMT2AMEN1
SCHEMBL5761891 0.99 CYP2C9 (0.39) CYP2C9THRBAKR1C3KMT2AMEN1
SCHEMBL5762238 0.94 CYP2C9 (0.40) CYP2C9THRBAKR1C3KMT2AMEN1
SCHEMBL5762257 0.93 CYP2C9 (0.41) CYP2C9THRBAKR1C3KMT2AMEN1
SCHEMBL5762706 0.93 CYP2C9 (0.39) CYP2C9THRBAKR1C3KMT2AMEN1
SCHEMBL7231795 0.91 CYP2C9 (0.43) CYP2C9KMT2AMEN1BRS3HSD17B10
SCHEMBL7013702 0.90 CYP2C9 (0.43) CYP2C9KMT2AMEN1BRS3HSD17B10
SCHEMBL5762633 0.90 CYP2C9 (0.39) CYP2C9THRBKMT2AMEN1BRS3
SCHEMBL5762654 0.90 CYP2C9 (0.39) CYP2C9THRBKMT2AMEN1BRS3
SCHEMBL7225643 0.88 CYP2C9 (0.43) CYP2C9KMT2AMEN1BRS3HSD17B10

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 92/4885THRB 3547/4885AKR1C3 1426/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885THRB 3954/4885AKR1C3 850/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885THRB 3573/4885AKR1C3 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.