SCHEMBL404245

SCHEMBL404245

c1ccc(CO[C@H]2CCCC3COC(c4ccccc4)O[C@H]32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
TACR1 P25103 5/20 0.40
BCHE P06276 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
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

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
SCHEMBL7720184 0.84 BCHE (0.49) L3MBTL1TACR1BCHEMEN1KMT2A
SCHEMBL18689878 0.84 BCHE (0.49) L3MBTL1TACR1BCHEMEN1KMT2A
SCHEMBL20626543 0.81 L3MBTL1 (0.46) L3MBTL1TACR1BCHEMEN1KMT2A
SCHEMBL438380 0.78 L3MBTL1 (0.44) L3MBTL1BCHEMEN1KMT2AKLK7
SCHEMBL22627491 0.77 TACR1 (0.41) TACR1BCHEPSEN1PSEN2APH1B
SCHEMBL5467175 0.76 KLK7 (0.43) L3MBTL1BCHEMEN1KMT2AKLK7
SCHEMBL20404231 0.75 CTSL (0.45) TACR1BCHEPSEN1PSEN2APH1B
SCHEMBL7201040 0.75 CTSL (0.45) TACR1BCHEPSEN1PSEN2APH1B
SCHEMBL18384827 0.75 CTSL (0.45) TACR1BCHEPSEN1PSEN2APH1B
SCHEMBL17079964 0.75 CTSL (0.45) TACR1BCHEPSEN1PSEN2APH1B

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 L3MBTL1 4789/4885TACR1 531/4885BCHE 1419/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD L3MBTL1 4789/4885TACR1 526/4885BCHE 1409/4885

“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.