SCHEMBL3771197

SCHEMBL3771197

COc1ccc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccc(OCC(=O)OCCS(=O)(=O)c4ccc(C)cc4)cc3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.30
DDAH1 O94760 1/20 0.30
SARM1 Q6SZW1 1/20 0.30
IDO2 Q6ZQW0 1/20 0.30
ENGASE Q8NFI3 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3771220 0.89 DDAH1 (0.33) CYP2C9GAAALDH1A1DDAH1SARM1
SCHEMBL6477928 0.88 CYP2C9 (0.39) CYP2C9GAAALDH1A1DDAH1ENGASE
SCHEMBL13008023 0.87 CYP2C9 (0.37) CYP2C9GAAALDH1A1DDAH1SARM1
SCHEMBL3770559 0.87 CYP2C9 (0.37) CYP2C9ALDH1A1DDAH1SARM1IDO2
SCHEMBL5760319 0.87 CYP2C9 (0.38) CYP2C9GAAALDH1A1DDAH1ENGASE
SCHEMBL5763545 0.82 CYP2C9 (0.37) CYP2C9GAAALDH1A1DDAH1ENGASE
SCHEMBL5762088 0.81 CYP2C9 (0.36) CYP2C9GAAALDH1A1DDAH1ENGASE
SCHEMBL6531921 0.79 CYP2C9 (0.35) CYP2C9ALDH1A1DDAH1ENGASE
SCHEMBL5368047 0.79 CYP2C9 (0.36) CYP2C9ALDH1A1DDAH1ENGASE
SCHEMBL13008031 0.78 PSEN1 (0.32) GAAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ALEVIUM PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ALEVIUM PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ALEVIUM PHARMACEUTICALS, INC. 2010-12-16 US disclosed
WO-2008036201-A1 PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE 1H-IMIDAZO[4,5-B] PYRIDINE MOIETY ALEVIUM PHARMACEUTICALS, INC. (US) 2008-03-27 WO 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 (1 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-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ABCB11, ATP6AP1, CYP4B1 CYP2C9 44/4885GAA 406/4885ALDH1A1 625/4885

“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.