SCHEMBL5058464

SCHEMBL5058464

C[C@H](NC(=O)CP(=O)(O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
ENO1 P06733 1/20 0.46
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
OTC P00480 1/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 3/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39

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
SCHEMBL5058336 0.84 LTA4H (0.41) CA2CA4LTA4HALDH1A1SMN1; SMN2
SCHEMBL5058339 0.82 ALDH1A1 (0.47) CA2CA4LTA4HALDH1A1SMN1; SMN2
SCHEMBL9204263 0.80 ENO1 (0.52) CA2CA4ENO1OTCTSHR
SCHEMBL5058337 0.80 ALDH1A1 (0.41) CA2CA4LTA4HALDH1A1SMN1; SMN2
Butane SCHEMBL11182752 0.75 CA2 (0.47) CA2CA4ENO1OTCTSHR
SCHEMBL4189346 0.73 ALDH1A1 (0.50) LTA4HALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL1476947 0.73 SMN1; SMN2 (0.47) LTA4HALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL964581 0.73 SMN1; SMN2 (0.47) LTA4HALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL4811341 0.73 SMN1; SMN2 (0.47) LTA4HALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL6309640 0.73 SMN1; SMN2 (0.47) LTA4HALDH1A1SMN1; SMN2KDM4ETSHR

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-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-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-1077690-A1 USE OF AMYLOID INHIBITORS FOR MODULATING NEURONAL CELL DEATH Neurochem, Inc. (CA) 2001-02-28 EP 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 CA2 153/4885CA4 262/4885ENO1 1031/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 CA2 929/4885CA4 433/4885ENO1 2245/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 CA2 1005/4885CA4 509/4885ENO1 2523/4885

“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.