SCHEMBL404009

SCHEMBL404009

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.47
SLC6A2 P23975 1/20 0.41
METAP2 P50579 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KLK7 P49862 4/20 0.38
KLK5 Q9Y337 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL14478933 1.00 BCHE (0.47) BCHESLC6A2METAP2CYP2C9CYP2C19
SCHEMBL403707 0.91 BCHE (0.45) BCHESLC6A2METAP2KLK7KLK5
SCHEMBL14478924 0.91 BCHE (0.47) BCHESLC6A2CYP2C19KLK7KLK5
SCHEMBL402884 0.90 BCHE (0.47) BCHESLC6A2METAP2KLK7KLK5
SCHEMBL403509 0.84 BCHE (0.45) BCHEMETAP2KLK7KLK5POLB
SCHEMBL12355183 0.84 BCHE (0.40) BCHESLC6A2CYP2C9CYP2C19KLK7
SCHEMBL402639 0.82 SLC6A2 (0.60) BCHESLC6A2METAP2POLBGAA
SCHEMBL30039963 0.81 BCHE (0.49) BCHESLC6A2CYP2C19KLK7KLK5
SCHEMBL14362878 0.81 BCHE (0.46) BCHESLC6A2METAP2KLK7KLK5
SCHEMBL14362882 0.81 BCHE (0.46) BCHESLC6A2METAP2KLK7KLK5

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 1419/4885SLC6A2 2728/4885METAP2 1897/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD BCHE 1409/4885SLC6A2 2759/4885METAP2 1858/4885

“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.