SCHEMBL404025

SCHEMBL404025

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.45
KLK7 P49862 9/20 0.38
KLK5 Q9Y337 7/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
CTSF Q9UBX1 1/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ATM Q13315 1/20 0.35
PDE4D Q08499 1/20 0.34
SLC6A2 P23975 1/20 0.34

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 1.00 BCHE (0.45) BCHEKLK7KLK5CTSVCTSL
SCHEMBL404382 0.90 KLK7 (0.42) BCHEKLK7KLK5CTSVCTSL
SCHEMBL14478947 0.88 BCHE (0.51) BCHEKLK7KLK5CTSVCTSL
SCHEMBL402963 0.81 BCHE (0.41) BCHEKLK7KLK5CTSVCTSL
SCHEMBL402480 0.81 BCHE (0.46) BCHEKLK7KLK5CTSVCTSL
SCHEMBL14478960 0.81 BCHE (0.46) BCHEKLK7KLK5CTSVCTSL
SCHEMBL11981178 0.80
SCHEMBL19403045 0.76 CTSL (0.44) BCHECTSLCTSBCTSK
SCHEMBL31629437 0.76 CTSL (0.44) BCHECTSLCTSBCTSK
SCHEMBL402446 0.76 CTSV (0.41) BCHEKLK7KLK5CTSVCTSL

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.