SCHEMBL13313880

SCHEMBL13313880

COCCOCCNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.52
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA3 P07451 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ CA5A P35218 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CACNA1C Q13936 1/20 0.52
▸ SCN9A Q15858 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA13 Q8N1Q1 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ CA5B Q9Y2D0 1/20 0.52
▸ GNPAT O15228 1/20 0.47
▸ SRC P12931 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ REN P00797 1/20 0.45

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
SCHEMBL13313884 1.00 CA2 (0.52) CA2CTSSCTSKCA12CA1
SCHEMBL13313865 1.00 CA2 (0.52) CA2CTSSCTSKCA12CA1
SCHEMBL13313863 1.00 CA2 (0.52) CA2CTSSCTSKCA12CA1
SCHEMBL13313861 0.95 CPA1 (0.50) CA2CTSSCTSKCA12CA1
SCHEMBL13313860 0.95 CPA1 (0.50) CA2CTSSCTSKCA12CA1
SCHEMBL14274989 0.92 CTSS (0.52) CA2CTSSCTSKCA12CA1
SCHEMBL13625035 0.90 CPA1 (0.53) CA2CTSSCTSKCA12CA1
SCHEMBL13625030 0.90 CPA1 (0.53) CA2CTSSCTSKCA12CA1
SCHEMBL13313858 0.88 ALDH1A1 (0.50) CA2CA12CA1CA3CA4
SCHEMBL12086009 0.88 ALDH1A1 (0.50) CA2CA12CA1CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100136063-A1 Immunotherapy for Treatment of Amyloid-Related Disorders Using Encapsulated Beta-Amyloid Peptides UNIVERSITY OF SOUTH FLORIDA (US) 2010-06-03 — — US disclosed
US-7618944-B2 Encapsulating in micelle which is a block copolymer containing hydrophilic and hydrophobic blocks INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-17 — — US disclosed
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 — — 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 (2 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-20100136063-A1 Immunotherapy for Treatment of Amyloid-Related Disorders Using Encapsulated Beta-Amyloid Peptides IAPP, APP, TTR CA2 3748/4885CTSS 1743/4885CTSK 1919/4885
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES IAPP, APP, TTR CA2 2809/4885CTSS 895/4885CTSK 944/4885

“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.

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