SCHEMBL402317

SCHEMBL402317

CC(=O)OC1COC(C(=O)OCc2ccccc2)[C@@H](C)[C@H]1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.45
ALDH1A1 P00352 1/20 0.43
KLK7 P49862 4/20 0.42
KLK5 Q9Y337 3/20 0.42
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.39
ELANE P08246 3/20 0.38
METAP2 P50579 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL402527 0.91 BCHE (0.45) BCHEALDH1A1KLK7KLK5TSHR
SCHEMBL14362882 0.90 BCHE (0.46) BCHEALDH1A1KLK7KLK5SLC6A2
SCHEMBL14362878 0.90 BCHE (0.46) BCHEALDH1A1KLK7KLK5SLC6A2
SCHEMBL403707 0.89 BCHE (0.45) BCHEALDH1A1KLK7KLK5SLC6A2
SCHEMBL402930 0.84 BCHE (0.41) BCHEALDH1A1KLK7KLK5TSHR
SCHEMBL403509 0.82 BCHE (0.45) BCHEALDH1A1KLK7KLK5TSHR
SCHEMBL12355216 0.81 BCHE (0.47) BCHEKLK7KLK5SLC6A2
SCHEMBL402884 0.81 BCHE (0.47) BCHEALDH1A1KLK7KLK5SLC6A2
SCHEMBL12355213 0.81 BCHE (0.47) BCHE
SCHEMBL404009 0.80 BCHE (0.47) BCHEALDH1A1KLK7KLK5SLC6A2

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 1419/4885ALDH1A1 371/4885KLK7 1399/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD BCHE 1409/4885ALDH1A1 364/4885KLK7 1402/4885

“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.