SCHEMBL403643

SCHEMBL403643

OCC1CN(Cc2ccccc2)C[C@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.66
FUCA1 P04066 2/20 0.51
PYGL P06737 1/20 0.47
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL440211 1.00 GBA1 (0.66) GBA1FUCA1PYGLS1PR5
SCHEMBL2454394 1.00 GBA1 (0.66) GBA1FUCA1PYGLS1PR5
SCHEMBL500382 0.90 GBA1 (0.58) GBA1FUCA1S1PR5
SCHEMBL500383 0.90 GBA1 (0.58) GBA1FUCA1S1PR5
SCHEMBL8172188 0.88 GBA1 (0.58) GBA1PYGL
SCHEMBL13090657 0.88 FUCA1 (0.50) GBA1FUCA1S1PR5
SCHEMBL587335 0.88 FUCA1 (0.50) GBA1FUCA1S1PR5
SCHEMBL13090653 0.87 GBA1 (0.49) GBA1FUCA1S1PR5
SCHEMBL17351179 0.86 GBA1 (0.55) GBA1FUCA1S1PR5
SCHEMBL591470 0.86 GBA1 (0.55) GBA1FUCA1S1PR5

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 GBA1 135/4885FUCA1 42/4885PYGL 719/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD GBA1 135/4885FUCA1 39/4885PYGL 682/4885

“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.