SCHEMBL403757

SCHEMBL403757

O=C(O)C1OCC(O)[C@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.47
PDPK1 O15530 2/20 0.42
MTOR P42345 1/20 0.42
SLC6A2 P23975 1/20 0.42
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
ACHE P22303 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR1 P25103 2/20 0.36
FUCA1 P04066 2/20 0.36

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
SCHEMBL402682 0.86 PDPK1 (0.40) BCHEPDPK1MTORSLC6A2GRM2
SCHEMBL402884 0.82 BCHE (0.47) BCHEPDPK1MTORSLC6A2ALDH1A1
SCHEMBL30039999 0.79 BCHE (0.50) BCHEPDPK1MTORSLC6A2ACHE
SCHEMBL18193304 0.77 PDPK1 (0.44) BCHEPDPK1MTORSLC6A2ALDH1A1
SCHEMBL18193301 0.77 PDPK1 (0.44) BCHEPDPK1MTORSLC6A2ALDH1A1
SCHEMBL29929163 0.77 PDPK1 (0.44) BCHEPDPK1MTORSLC6A2GRM2
SCHEMBL7145503 0.77 SLC6A2 (0.45) BCHEPDPK1MTORSLC6A2ACHE
SCHEMBL1561047 0.77 SLC6A2 (0.45) BCHEPDPK1MTORSLC6A2ACHE
SCHEMBL8600114 0.77 SLC6A2 (0.45) BCHEPDPK1MTORSLC6A2ACHE
SCHEMBL1561048 0.77 SLC6A2 (0.45) BCHEPDPK1MTORSLC6A2ACHE

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-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF SANOFI-AVENTIS (FR) 2012-03-15 US disclosed
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof SANOFI-AVENTIS (FR) 2007-11-22 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-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF HPSE, HAAO, HEXD BCHE 1419/4885PDPK1 4161/4885MTOR 3122/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD BCHE 1409/4885PDPK1 4182/4885MTOR 3124/4885

“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.