SCHEMBL439892

SCHEMBL439892

O=C(OCc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.43
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
PDE4B Q07343 1/20 0.42
HTR2C P28335 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL28760417 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL28760418 0.91 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5447024 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5465296 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2456870 0.80 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACYP2C19PSEN1
SCHEMBL14763101 0.79 KLK7 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14762446 0.79 KLK7 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL20361649 0.79 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2999166 0.77 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2621369 0.77 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 SMN1; SMN2 4104/4885NPC1 3249/4885RAB9A 2576/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD SMN1; SMN2 4081/4885NPC1 3205/4885RAB9A 2582/4885

“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.