SCHEMBL404388

SCHEMBL404388

C[C@@H]1COCC(OS(=O)(=O)O)[C@@H]1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.40
MTOR P42345 1/20 0.40
CYP2C19 P33261 2/20 0.39
MAPT P10636 1/20 0.39
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
BCHE P06276 2/20 0.36
CYP1A2 P05177 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36
SLC6A2 P23975 1/20 0.35

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
SCHEMBL402917 0.85 PDPK1 (0.38) PDPK1MTORCYP2C19MAPTPSEN1
SCHEMBL402446 0.81 CTSV (0.41) PDPK1MTORCYP2C19MAPTPSEN1
SCHEMBL14362982 0.80 BCHE (0.40) PDPK1MTORCYP2C19MAPTBCHE
SCHEMBL23867782 0.74 BCHE (0.49) PDPK1MTORCYP2C19MAPTPSEN1
SCHEMBL22965651 0.73 BCHE (0.48) PDPK1MTORCYP2C19MAPTBCHE
SCHEMBL17296558 0.71 PSEN1 (0.43) CYP2C19MAPTPSEN1PSEN2APH1B
SCHEMBL23867726 0.70 BCHE (0.47) PDPK1MTORPSEN1PSEN2APH1B
SCHEMBL404025 0.70 BCHE (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14478945 0.70 BCHE (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18193300 0.69 BCHE (0.39) PDPK1MTORCYP2C19MAPTPSEN1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 PDPK1 4161/4885MTOR 3122/4885CYP2C19 721/4885

“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.