SCHEMBL404382

SCHEMBL404382

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.42
KLK5 Q9Y337 4/20 0.42
BCHE P06276 1/20 0.42
ALDH1A1 P00352 2/20 0.38
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
HCRTR2 O43614 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35
CTSF Q9UBX1 1/20 0.35

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
SCHEMBL14478945 0.90 BCHE (0.45) KLK7KLK5BCHECTSVCTSL
SCHEMBL404025 0.90 BCHE (0.45) KLK7KLK5BCHECTSVCTSL
SCHEMBL402725 0.83 BCHE (0.46) KLK7KLK5BCHEALDH1A1
SCHEMBL404367 0.82 BCHE (0.44) KLK7KLK5BCHEALDH1A1FABP7
SCHEMBL14478936 0.78 BCHE (0.50) KLK7KLK5BCHEALDH1A1TSHR
SCHEMBL402963 0.78 BCHE (0.41) KLK7KLK5BCHECTSVCTSL
SCHEMBL14478947 0.78 BCHE (0.51) KLK7KLK5BCHEALDH1A1CTSV
SCHEMBL19749101 0.74 ALDH1A1 (0.52) ALDH1A1FABP7FABP5TSHR
SCHEMBL29433900 0.74 ALDH1A1 (0.52) ALDH1A1FABP7FABP5TSHR
SCHEMBL16648788 0.74 ALDH1A1 (0.52) ALDH1A1FABP7FABP5TSHR

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

“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.