SCHEMBL6515149

SCHEMBL6515149

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
FUCA1 P04066 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
GBA1 P04062 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
SCHEMBL6515145 1.00 DNM1 (0.35) DNM1FUCA1HDAC3HDAC1HDAC2
SCHEMBL6520738 0.81 FUCA1 (0.31) FUCA1
SCHEMBL6520744 0.81 FUCA1 (0.31) FUCA1
Hydrogen Sulfide SCHEMBL6509718 0.79 PYGB (0.36) DNM1HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL2536717 0.77 DNM1 (0.49) DNM1HDAC3HDAC1HDAC2HDAC10
SCHEMBL6517205 0.76 NPC1 (0.33) FUCA1
SCHEMBL6517209 0.76 NPC1 (0.33) FUCA1
SCHEMBL6509715 0.75 PYGB (0.33) DNM1HDAC3HDAC1HDAC2HDAC8
SCHEMBL5575339 0.74 FUCA1 (0.33) FUCA1
SCHEMBL5575333 0.74 FUCA1 (0.33) FUCA1

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 3 patents. 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
US-6627744-B2 A chemically modified mutant protein, e.g. an enzyme, having a substituted cysteine reacted with a glyosyslated thiosulfate; high esterase activity and low amidase activity of subtilisins; protease to degrade lectins GENENCOR INTERNATIONAL, INC. 2003-09-30 US disclosed
US-20020019039-A1 Synthesis and use of glycodendrimer reagents GENENCOR INTERNATIONAL, INC. 2002-02-14 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-20020019039-A1 Synthesis and use of glycodendrimer reagents STT3A, STT3B, PTMS DNM1 1611/4885FUCA1 408/4885HDAC3 4414/4885
US-20050272670-A1 Synthesis and use of glycodendrimer reagents STT3A, PTMS, STT3B DNM1 1600/4885FUCA1 373/4885HDAC3 4303/4885

“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.