SCHEMBL5490591

SCHEMBL5490591

NCCCCC(N)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.68
SMPD1 P17405 2/20 0.65
PDE3A Q14432 2/20 0.54
LMNA P02545 3/20 0.46
ADRB3 P13945 1/20 0.46
PDE4D Q08499 1/20 0.46
BLM P54132 2/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
GGPS1 O95749 1/20 0.37

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
SCHEMBL5054852 0.92 FDPS (0.67) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL8825784 0.92 FDPS (0.77) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL4104675 0.87 FDPS (0.73) FDPSSMPD1PDE3ALMNAADRB3
Water SCHEMBL5162288 0.84 FDPS (0.70) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL1285640 0.83 FDPS (0.65) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL5162874 0.81 FDPS (0.64) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL3414399 0.81 FDPS (1.00) FDPSSMPD1GGPS1
SCHEMBL1286213 0.81 FDPS (0.67) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL11327768 0.81 FDPS (0.70) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL1285910 0.80 FDPS (0.64) FDPSSMPD1PDE3ALMNAADRB3

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 4 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

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 1920/4885SMPD1 118/4885PDE3A 685/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 FDPS 4116/4885SMPD1 536/4885PDE3A 1674/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 FDPS 4229/4885SMPD1 610/4885PDE3A 2085/4885

“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.