SCHEMBL404401

SCHEMBL404401

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.49
KLK7 P49862 6/20 0.41
KLK5 Q9Y337 4/20 0.41
METAP2 P50579 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CPB1 P15086 1/20 0.38

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
SCHEMBL14478921 1.00 BCHE (0.49) BCHEKLK7KLK5METAP2ALDH1A1
SCHEMBL14362993 1.00 BCHE (0.49) BCHEKLK7KLK5METAP2ALDH1A1
SCHEMBL14478936 0.92 BCHE (0.50) BCHEKLK7KLK5ALDH1A1CPB1
SCHEMBL402725 0.91 BCHE (0.46) BCHEKLK7KLK5ALDH1A1
SCHEMBL16232447 0.84 BCHE (0.46) BCHEKLK7KLK5ALDH1A1CPB1
SCHEMBL402557 0.84 BCHE (0.46) BCHEKLK7KLK5METAP2ALDH1A1
SCHEMBL19403046 0.80 BCHE (0.43) BCHEALDH1A1CPB1
SCHEMBL24701521 0.79 BCHE (0.36) BCHE
SCHEMBL19976411 0.79 BCHE (0.46) BCHEKLK7KLK5ALDH1A1
SCHEMBL14478947 0.79 BCHE (0.51) BCHEKLK7KLK5ALDH1A1

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.