SCHEMBL5058351

SCHEMBL5058351

O=C(CP(=O)(O)O)NSC1CCCCC1

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 3/20 0.36
MMP3 P08254 2/20 0.36
MMP8 P22894 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
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 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
SCHEMBL3073955 0.81 ALDH1A1 (0.37) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL11705676 0.77 ALDH1A1 (0.35) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3071758 0.74 ALDH1A1 (0.33) RAB9ASMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL3077535 0.72 SMN1; SMN2 (0.42) MMP2CA2CA12CA1CA9
SCHEMBL5058559 0.72 MMP2 (0.57) MMP2CA2CA12CA1CA9
SCHEMBL5494158 0.70 MMP2 (0.55) MMP2CA2CA12CA1CA9
SCHEMBL11571466 0.70 SMN1; SMN2 (0.41) MMP2CA2CA12CA1CA9
SCHEMBL27516992 0.69 EPHX1 (0.37) MMP2CA2CA12CA1CA9
SCHEMBL11485949 0.69 EPHX1 (0.34) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL5059549 0.68 ENO1 (0.41) 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.