SCHEMBL5058343

SCHEMBL5058343

O=C(O)CNC(=O)CP(=O)(O)S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
EGLN1 Q9GZT9 1/20 0.34
APEX1 P27695 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34
ENO1 P06733 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL5058493 0.82 LMNA (0.52) ALDH1A1MAPTLMNATDP1PTGS2
SCHEMBL5058344 0.78 EGLN1 (0.35) ALDH1A1MAPTLMNATDP1PTGS2
SCHEMBL5058345 0.76 ALDH1A1 (0.36) ALDH1A1MAPTLMNATDP1PTGS2
SCHEMBL29588 0.73
SCHEMBL2807522 0.70 EGLN1 (0.46) ALDH1A1MAPTLMNATDP1PTGS2
SCHEMBL5059567 0.70
SCHEMBL75812 0.69
SCHEMBL7888467 0.68 EGLN1 (0.43) ALDH1A1MAPTLMNATDP1PTGS2
SCHEMBL7201939 0.68 CA2 (0.39) ALDH1A1MAPTLMNATDP1PTGS2
SCHEMBL6471153 0.68 LDHA (0.47) ALDH1A1MAPTLMNATDP1PTGS2

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 ALDH1A1 3580/4885MAPT 3/4885LMNA 1103/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 ALDH1A1 1880/4885MAPT 3991/4885LMNA 2481/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 ALDH1A1 2097/4885MAPT 3743/4885LMNA 2106/4885

“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.