SCHEMBL354320

SCHEMBL354320

CCCN(CCCS(=O)(=O)O)C(C)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
TP53 P04637 1/20 0.33
CA1 P00915 4/20 0.33
CA12 O43570 3/20 0.33
ENPEP Q07075 2/20 0.33
CA9 Q16790 2/20 0.33
EPHX2 P34913 1/20 0.32
FDPS P14324 1/20 0.32
EPHX1 P07099 1/20 0.31
CA2 P00918 2/20 0.31
CA14 Q9ULX7 1/20 0.31
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL6201946 0.84 FDPS (0.41) CA1CA12CA9FDPSEPHX1
SCHEMBL28847191 0.80 CA1 (0.42) TP53CA1CA12CA9EPHX1
SCHEMBL16350112 0.79 APP (0.38) APPENPEP
SCHEMBL8833635 0.76 FDPS (0.39) CA1CA12CA9FDPSEPHX1
SCHEMBL3719170 0.73 FDPS (0.36) CA1CA12CA9FDPSEPHX1
Palmitic Acid SCHEMBL28958123 0.72 GPR84 (0.55) APP
SCHEMBL6436464 0.71 APP (0.43) APPTP53CA1CA12EPHX2
SCHEMBL4185969 0.70 APP (0.41) APPCA1CA12CA9EPHX2
SCHEMBL4703549 0.70 TP53 (0.37) TP53EPHX2CA2S1PR2S1PR1
Urea SCHEMBL28149082 0.69 LMNA (0.46) APPTP53ENPEPEPHX2S1PR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 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-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 APP 1/4885TP53 1511/4885CA1 1133/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 APP 1/4885TP53 1545/4885CA1 582/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 APP 1/4885TP53 2048/4885CA1 670/4885

“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.