SCHEMBL403902

SCHEMBL403902

OCC1CCC[C@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
TACR1 P25103 2/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 1/20 0.40
NAE1 Q13564 1/20 0.39
UBA3 Q8TBC4 1/20 0.39
SLC6A2 P23975 1/20 0.39
GBA1 P04062 3/20 0.39
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
KCNA5 P22460 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
SCHEMBL26023988 0.89 PSEN1 (0.48) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL24008144 0.89 PSEN1 (0.48) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL404038 0.85 BCHE (0.47) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL14180116 0.80 PSEN1 (0.46) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL16194843 0.80 PSEN1 (0.43) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL16195039 0.80 PSEN1 (0.43) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL20404233 0.80 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16194931 0.80 PSEN1 (0.43) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL10303682 0.80 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16138553 0.80 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A

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 PDE4D 3160/4885SLC5A1 380/4885SLC5A2 507/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD PDE4D 3189/4885SLC5A1 377/4885SLC5A2 507/4885

“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.