SCHEMBL5063522

SCHEMBL5063522

CCCCCC(N)CC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.64
S1PR2 O95136 7/20 0.62
S1PR1 P21453 7/20 0.62
S1PR3 Q99500 7/20 0.62
S1PR4 O95977 6/20 0.62
LAP3 P28838 2/20 0.60
GGPS1 O95749 2/20 0.49

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
SCHEMBL5489926 0.94 FDPS (0.63) FDPSS1PR2S1PR1S1PR3S1PR4
SCHEMBL5489933 0.86 FDPS (0.60) FDPSS1PR2S1PR1S1PR3S1PR4
SCHEMBL1060235 0.80 S1PR2 (0.67) FDPSS1PR2S1PR1S1PR3S1PR4
Phosphoric Acid SCHEMBL28726225 0.79 S1PR2 (0.71) FDPSS1PR2S1PR1S1PR3S1PR4
Phosphoric Acid SCHEMBL547512 0.79 S1PR2 (0.78) FDPSS1PR2S1PR1S1PR3S1PR4
SCHEMBL370480 0.79 FDPS (1.00) FDPSS1PR2S1PR1S1PR3S1PR4
SCHEMBL744324 0.78 S1PR2 (0.70) FDPSS1PR2S1PR1S1PR3S1PR4
SCHEMBL31591638 0.78 S1PR1 (0.82) FDPSS1PR2S1PR1S1PR3S1PR4
SCHEMBL5135218 0.78 S1PR1 (0.96) FDPSS1PR2S1PR1S1PR3S1PR4
SCHEMBL1059771 0.78 S1PR2 (0.70) FDPSS1PR2S1PR1S1PR3S1PR4

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 9 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
US-5728650-A Herbicidal aza bisphosphonic acids and compositions containing the same ZENECA LIMITED (GB) 1998-03-17 US disclosed
EP-0820230-A1 HERBICIDAL AZA BISPHOSPHONIC ACIDS AND COMPOSITIONS CONTAINING THE SAME ZENECA LIMITED (GB) 1998-01-28 EP disclosed
WO-1996031124-A1 HERBICIDAL AZA BISPHOSPHONIC ACIDS AND COMPOSITIONS CONTAINING THE SAME ZENECA LIMITED (GB) 1996-10-10 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 FDPS 1920/4885S1PR2 270/4885S1PR1 261/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 FDPS 4116/4885S1PR2 2283/4885S1PR1 2186/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 FDPS 4229/4885S1PR2 2392/4885S1PR1 2408/4885

“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.