SCHEMBL5059527

SCHEMBL5059527

CCCC(N)CCP(=O)(O)O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.71
S1PR3 Q99500 8/20 0.71
S1PR2 O95136 7/20 0.71
S1PR4 O95977 6/20 0.71
ENPEP Q07075 2/20 0.59
METAP1 P53582 2/20 0.57
FDPS P14324 1/20 0.50
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LAP3 P28838 2/20 0.47
ANPEP P15144 1/20 0.45

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
SCHEMBL5063517 0.87 S1PR1 (0.85) S1PR1S1PR3S1PR2S1PR4ENPEP
SCHEMBL5135218 0.85 S1PR1 (0.96) S1PR1S1PR3S1PR2S1PR4ENPEP
SCHEMBL28381669 0.85 S1PR2 (0.70) S1PR1S1PR3S1PR2S1PR4ENPEP
SCHEMBL5059525 0.84 S1PR1 (0.62) S1PR1S1PR3S1PR2S1PR4ENPEP
SCHEMBL14338654 0.84 S1PR1 (1.00) S1PR1S1PR3S1PR2S1PR4FDPS
SCHEMBL14338673 0.84 S1PR1 (1.00) S1PR1S1PR3S1PR2S1PR4FDPS
SCHEMBL14338675 0.84 S1PR1 (1.00) S1PR1S1PR3S1PR2S1PR4FDPS
SCHEMBL14338651 0.84 S1PR1 (1.00) S1PR1S1PR3S1PR2S1PR4FDPS
SCHEMBL14338665 0.84 S1PR1 (1.00) S1PR1S1PR3S1PR2S1PR4FDPS
SCHEMBL5419041 0.84 S1PR1 (1.00) S1PR1S1PR3S1PR2S1PR4FDPS

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 10 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-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-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
EP-1077690-A1 USE OF AMYLOID INHIBITORS FOR MODULATING NEURONAL CELL DEATH Neurochem, Inc. (CA) 2001-02-28 EP disclosed
WO-2000006133-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS NEUROCHEM, INC. (CA) 2000-02-10 WO disclosed
WO-1999059571-A1 USE OF AMYLOID INHIBITORS FOR MODULATING NEURONAL CELL DEATH NEUROCHEM, INC. (US) 1999-11-25 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 S1PR1 261/4885S1PR3 186/4885S1PR2 270/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 S1PR1 2186/4885S1PR3 1508/4885S1PR2 2283/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 S1PR1 2408/4885S1PR3 1651/4885S1PR2 2392/4885

“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.