SCHEMBL402695

SCHEMBL402695

CC(=O)OCC1C[C@@H](OCc2ccccc2)C(O)CO1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
BCHE P06276 3/20 0.41
MGLL Q99685 2/20 0.41
PDE4D Q08499 1/20 0.38
KLK7 P49862 3/20 0.37
KLK5 Q9Y337 3/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR2 O43614 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
SCHEMBL19976411 0.87 BCHE (0.46) ALDH1A1BCHEMGLLKLK7KLK5
SCHEMBL402786 0.84 KLK7 (0.42) ALDH1A1BCHEMGLLKLK7KLK5
SCHEMBL402948 0.83 ALDH1A1 (0.41) ALDH1A1BCHEMGLLCYP3A4
SCHEMBL14362885 0.82 ALDH1A1 (0.39) ALDH1A1BCHEMGLLKLK7KLK5
SCHEMBL402691 0.81 PDE4D (0.49) BCHEPDE4D
SCHEMBL19976426 0.78 TSHR (0.45) ALDH1A1BCHEPDE4DCYP3A4TSHR
SCHEMBL21243995 0.78 ALDH1A1 (0.44) ALDH1A1BCHEHCRTR2
SCHEMBL402480 0.77 BCHE (0.46) ALDH1A1BCHEPDE4DKLK7KLK5
SCHEMBL14478960 0.77 BCHE (0.46) ALDH1A1BCHEPDE4DKLK7KLK5
SCHEMBL404367 0.77 BCHE (0.44) ALDH1A1BCHEPDE4DKLK7KLK5

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 ALDH1A1 371/4885BCHE 1419/4885MGLL 1333/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD ALDH1A1 364/4885BCHE 1409/4885MGLL 1263/4885

“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.