SCHEMBL438380

SCHEMBL438380

O=C(O)N1CC2COC(c3ccccc3)OC2C(OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
BCHE P06276 1/20 0.41
KLK7 P49862 8/20 0.37
KLK5 Q9Y337 5/20 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
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL5467175 0.91 KLK7 (0.43) L3MBTL1BCHEKLK7KLK5MEN1
SCHEMBL404245 0.78 L3MBTL1 (0.42) L3MBTL1BCHEKLK7KLK5CTSV
SCHEMBL7720184 0.77 BCHE (0.49) L3MBTL1BCHEKLK7KLK5CTSV
SCHEMBL18689878 0.77 BCHE (0.49) L3MBTL1BCHEKLK7KLK5CTSV
SCHEMBL5467178 0.73 BCHE (0.36) BCHEKLK7KLK5CTSVCTSL
SCHEMBL18040923 0.72 BCHE (0.43) BCHECTSVCTSLCTSBCTSS
SCHEMBL18580306 0.71 SMN1; SMN2 (0.43) BCHECTSVCTSLCTSBCTSS
SCHEMBL10907214 0.70 L3MBTL1 (0.49) L3MBTL1BCHEKLK7KLK5CTSV
SCHEMBL21964247 0.70 SLC6A2 (0.49) L3MBTL1BCHEKLK7KLK5MEN1
SCHEMBL20626543 0.70 L3MBTL1 (0.46) L3MBTL1BCHECTSVCTSLCTSB

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
EP-1773854-B1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF SANOFI SA (FR) 2011-09-21 EP 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 L3MBTL1 4789/4885BCHE 1419/4885KLK7 1399/4885

“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.