SCHEMBL4879608

SCHEMBL4879608

CC(=O)O[C@]1(Br)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGB P11216 9/20 0.43
PYGL P06737 3/20 0.39
PYGM P11217 2/20 0.39
OGA O60502 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33

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
SCHEMBL9100648 1.00 PYGB (0.43) PYGBPYGLPYGMOGASLC5A1
SCHEMBL547472 1.00 PYGB (0.43) PYGBPYGLPYGMOGASLC5A1
SCHEMBL4167814 1.00 PYGB (0.43) PYGBPYGLPYGMOGASLC5A1
SCHEMBL1524726 1.00 PYGB (0.43) PYGBPYGLPYGMOGASLC5A1
SCHEMBL15104602 0.95 PYGB (0.38) PYGBPYGLPYGMOGA
SCHEMBL4853031 0.95 PYGB (0.38) PYGBPYGLPYGMOGA
SCHEMBL8308792 0.84 PYGB (0.42) PYGBPYGLPYGMOGA
SCHEMBL28543896 0.84 PYGB (0.39) PYGBPYGLPYGM
SCHEMBL27352687 0.84 PYGB (0.39) PYGBPYGLPYGM
SCHEMBL15125021 0.79 PYGB (0.48) PYGBPYGLPYGMOGA

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-20080132689-A1 Complexing using an ortho carboxy acetal; biodrug delivery ROCHE MADISON INC 2008-06-05 US disclosed
US-7348453-B2 Labile linkage for compound delivery to a cell MIRUS BIO CORPORATION (US) 2008-03-25 US disclosed
WO-2005026253-A2 LABILE LINKAGE FOR COMPOUND DELIVERY TO A CELL MIRUS BIO CORPORATION (US) 2005-03-24 WO disclosed
US-20050054604-A1 Labile linkage for compound delivery to a cell ROCHE MADISON INC. 2005-03-10 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 (2 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-20050054604-A1 Labile linkage for compound delivery to a cell AADAC, PAICS, FURIN PYGB 395/4885PYGL 286/4885PYGM 666/4885
US-20080132689-A1 Complexing using an ortho carboxy acetal; biodrug delivery CEL, PAICS, OGA PYGB 1261/4885PYGL 781/4885PYGM 710/4885

“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.