SCHEMBL6509715

SCHEMBL6509715

O=C(CCCS)NCCN(CCNC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1S)CCNC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1S

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGB P11216 6/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MMP13 P45452 1/20 0.32
EPHX2 P34913 1/20 0.32
DNM1 Q05193 1/20 0.32
SELP P16109 2/20 0.31
GAA P10253 1/20 0.30
SLC5A1 P13866 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
Hydrogen Sulfide SCHEMBL6509718 0.91 PYGB (0.36) PYGBHDAC3HDAC1HDAC2HDAC8
SCHEMBL6886071 0.79 PYGB (0.41) PYGBSELPGAA
SCHEMBL6515149 0.75 DNM1 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6515145 0.75 DNM1 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrogen Sulfide SCHEMBL4468953 0.73 PYGB (0.40) PYGBSELPGAA
Hydrochloric Acid SCHEMBL2536717 0.72 DNM1 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4461207 0.68 PYGB (0.32) PYGBSELPGAASLC5A1
Hydrogen Sulfide SCHEMBL6886073 0.66 PYGB (0.47) PYGBSELPGAA
SCHEMBL17962617 0.65 EPHX2 (0.40) PYGBEPHX2SELPGAA
SCHEMBL20161703 0.65 PYGB (0.51) PYGBSELPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272670-A1 Synthesis and use of glycodendrimer reagents DAVIS BENJAMIN G 2005-12-08 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-20050272670-A1 Synthesis and use of glycodendrimer reagents STT3A, PTMS, STT3B PYGB 1271/4885HDAC3 4303/4885HDAC1 4652/4885

“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.