SCHEMBL5058336

SCHEMBL5058336

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MME P08473 2/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39
FAAH O00519 3/20 0.38
HSD17B10 Q99714 1/20 0.37
SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL5058464 0.84 CA2 (0.56) LTA4HALDH1A1SMN1; SMN2KDM4EMME
SCHEMBL5058337 0.80 ALDH1A1 (0.41) LTA4HALDH1A1SMN1; SMN2KDM4EMME
SCHEMBL5058339 0.78 ALDH1A1 (0.47) LTA4HALDH1A1SMN1; SMN2KDM4EMME
SCHEMBL13445357 0.73 MME (0.47) ALDH1A1SMN1; SMN2KDM4EMMEACE
SCHEMBL964581 0.70 SMN1; SMN2 (0.47) LTA4HALDH1A1SMN1; SMN2KDM4EMME
SCHEMBL4189346 0.70 ALDH1A1 (0.50) LTA4HALDH1A1SMN1; SMN2KDM4EMME
SCHEMBL10076082 0.70 ALDH1A1 (0.50) LTA4HALDH1A1SMN1; SMN2KDM4EMME
SCHEMBL4811735 0.70 SMN1; SMN2 (0.47) LTA4HALDH1A1SMN1; SMN2KDM4EMME
SCHEMBL6309640 0.70 SMN1; SMN2 (0.47) LTA4HALDH1A1SMN1; SMN2KDM4EMME
SCHEMBL4811341 0.70 SMN1; SMN2 (0.47) LTA4HALDH1A1SMN1; SMN2KDM4EMME

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-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 LTA4H 1053/4885ALDH1A1 3580/4885SMN1; SMN2 532/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 LTA4H 612/4885ALDH1A1 1880/4885SMN1; SMN2 3146/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 LTA4H 843/4885ALDH1A1 2097/4885SMN1; SMN2 2698/4885

“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.