SCHEMBL5059549

SCHEMBL5059549

O=C(CP(=O)(O)O)N[Se]C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 1/20 0.41
MMP2 P08253 5/20 0.36
CA2 P00918 5/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
MMP1 P03956 4/20 0.36
MMP8 P22894 3/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 1/20 0.36
ANPEP P15144 2/20 0.34
ERAP2 Q6P179 2/20 0.34
ACE P12821 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL17982693 0.72 EPHX1 (0.42) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL5058559 0.72 MMP2 (0.57) MMP2CA2CA12CA1CA9
SCHEMBL5494158 0.70 MMP2 (0.55) MMP2CA2CA12CA1CA9
SCHEMBL5058351 0.68 ENO1 (0.41) ENO1MMP2CA2CA12CA1
SCHEMBL7215686 0.65 CES2 (0.44) ENO1MMP2CA2CA12CA1
SCHEMBL11560406 0.65 CES2 (0.44) ENO1MMP2CA2CA12CA1
SCHEMBL7573633 0.65 MMP2 (0.52) ENO1MMP2CA2CA12CA1
SCHEMBL11682043 0.64 CYP2C19 (0.49) MMP2CA2CA12CA1CA9
SCHEMBL9089559 0.62 MEN1 (0.40) ENO1MMP2CA2CA12CA1
SCHEMBL425000 0.62 CA12 (0.48) ENO1MMP2CA2CA12CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions KIACTA SARL (CH) 2006-06-01 US disclosed
US-6670399-B2 Contacting a blood vessel wall cell with an A beta 40 inhibitor, such that cerebral amyloid angiopathy is inhibited NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2003-12-30 US disclosed
EP-1100487-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS Neurochem, Inc. (CA) 2001-05-23 EP disclosed
WO-2000006133-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS NEUROCHEM, INC. (CA) 2000-02-10 WO 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 (3 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-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy APP, PYGB, MAPT ENO1 1031/4885MMP2 1345/4885CA2 153/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 ENO1 2245/4885MMP2 105/4885CA2 929/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 ENO1 2523/4885MMP2 71/4885CA2 1005/4885

“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.