SCHEMBL404367

SCHEMBL404367

O=C(OCc1ccccc1)C1C[C@@H](OCc2ccccc2)C(O)CO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
KLK7 P49862 3/20 0.43
KLK5 Q9Y337 2/20 0.43
ALDH1A1 P00352 5/20 0.42
PDE4D Q08499 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL16232447 0.89 BCHE (0.46) BCHEKLK7KLK5ALDH1A1PDE4D
SCHEMBL402480 0.88 BCHE (0.46) BCHEKLK7KLK5ALDH1A1PDE4D
SCHEMBL14478960 0.88 BCHE (0.46) BCHEKLK7KLK5ALDH1A1PDE4D
SCHEMBL402725 0.83 BCHE (0.46) BCHEKLK7KLK5ALDH1A1
SCHEMBL404382 0.82 KLK7 (0.42) BCHEKLK7KLK5ALDH1A1FABP7
SCHEMBL16648788 0.79 ALDH1A1 (0.52) ALDH1A1FABP7FABP5TSHRMAPK1
SCHEMBL29433900 0.79 ALDH1A1 (0.52) ALDH1A1FABP7FABP5TSHRMAPK1
SCHEMBL19749101 0.79 ALDH1A1 (0.52) ALDH1A1FABP7FABP5TSHRMAPK1
SCHEMBL12216534 0.78 BCHE (0.46) BCHEKLK7KLK5ALDH1A1PDE4D
SCHEMBL14478936 0.78 BCHE (0.50) BCHEKLK7KLK5ALDH1A1TSHR

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 1419/4885KLK7 1399/4885KLK5 1277/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD BCHE 1409/4885KLK7 1402/4885KLK5 1250/4885

“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.