Sugi Predict

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SCHEMBL5760701

SCHEMBL5760701

COc1ccc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3cc(C(=O)O)ccc3C)c2c1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.40
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ WDR5 P61964 2/20 0.37
▸ BRS3 P32247 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ATP1A1 P05023 2/20 0.37
▸ ATP1B1 P05026 2/20 0.37
▸ ATP1A3 P13637 2/20 0.37
▸ ATP1B2 P14415 2/20 0.37
▸ ATP4A P20648 2/20 0.37
▸ ATP1A2 P50993 2/20 0.37
▸ ATP4B P51164 2/20 0.37
▸ ATP1B3 P54709 2/20 0.37
▸ FXYD2 P54710 2/20 0.37
▸ ATP1A4 Q13733 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ DDAH1 O94760 1/20 0.37
▸ ABCB11 O95342 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
SCHEMBL5760713 0.98 CYP2C9 (0.40) CYP2C9KMT2ASMN1; SMN2WDR5BRS3
SCHEMBL5762633 0.94 CYP2C9 (0.39) CYP2C9KMT2ASMN1; SMN2WDR5BRS3
SCHEMBL5760706 0.93 CYP2C9 (0.41) CYP2C9KMT2ASMN1; SMN2WDR5BRS3
SCHEMBL5762654 0.93 CYP2C9 (0.39) CYP2C9KMT2ASMN1; SMN2WDR5BRS3
SCHEMBL5762238 0.90 CYP2C9 (0.40) CYP2C9KMT2ASMN1; SMN2WDR5BRS3
SCHEMBL5762257 0.89 CYP2C9 (0.41) CYP2C9KMT2ASMN1; SMN2WDR5BRS3
SCHEMBL5364400 0.88 HSD17B10 (0.42) CYP2C9KMT2ASMN1; SMN2WDR5BRS3
SCHEMBL14356240 0.87 HSD17B10 (0.42) CYP2C9KMT2ASMN1; SMN2WDR5BRS3
SCHEMBL5762637 0.87 CYP2C9 (0.39) CYP2C9KMT2ASMN1; SMN2WDR5BRS3
SCHEMBL5761706 0.86 CYP2C9 (0.37) CYP2C9KMT2ASMN1; SMN2WDR5BRS3

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 92/4885KMT2A 2483/4885SMN1; SMN2 2083/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885KMT2A 2592/4885SMN1; SMN2 2578/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885KMT2A 2545/4885SMN1; SMN2 2370/4885

“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.