SCHEMBL16076771

SCHEMBL16076771

CCC1(C)OC(CO)C(O)C(O)C1O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PYGB P11216 8/20 0.45
PYGL P06737 3/20 0.41
PYGM P11217 2/20 0.41
SLC5A2 P31639 3/20 0.39
SLC5A1 P13866 2/20 0.39

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
SCHEMBL18812551 0.94 PYGB (0.39) PYGBPYGLPYGMSLC5A2SLC5A1
SCHEMBL23816577 0.82 PYGB (0.44) PYGBPYGLPYGMSLC5A2SLC5A1
SCHEMBL13329653 0.80 PYGB (0.35) PYGBPYGLPYGMSLC5A2SLC5A1
SCHEMBL16076764 0.79 PYGB (0.42) PYGBPYGLPYGMSLC5A2SLC5A1
SCHEMBL12928886 0.79 PYGB (0.40) PYGBPYGLPYGM
SCHEMBL17035712 0.79 PYGB (0.40) PYGBPYGLPYGM
SCHEMBL16638842 0.79 PYGB (0.40) PYGBPYGLPYGM
SCHEMBL17035715 0.79 PYGB (0.40) PYGBPYGLPYGM
SCHEMBL17035722 0.79 PYGB (0.40) PYGBPYGLPYGM
SCHEMBL12899848 0.79 PYGB (0.40) PYGBPYGLPYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890176-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-02-13 US disclosed
US-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 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 (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-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS TLR5, TLR1, MANBA PYGB 3833/4885PYGL 1551/4885PYGM 1553/4885

“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.