SCHEMBL345418

SCHEMBL345418

COC(=O)C(NC(=O)C(COc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
PSEN1 P49768 8/20 0.45
PSEN2 P49810 8/20 0.45
APH1B Q8WW43 8/20 0.45
NCSTN Q92542 8/20 0.45
APH1A Q96BI3 8/20 0.45
PSENEN Q9NZ42 8/20 0.45
CTSD P07339 4/20 0.44
KLK5 Q9Y337 1/20 0.44
AAK1 Q2M2I8 4/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
REN P00797 1/20 0.42
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL10151192 1.00 CTSS (0.45) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL10151208 0.88 PSEN1 (0.50) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL345998 0.86 ALDH1A1 (0.49) CTSSCTSKKLK5AAK1ALDH1A1
SCHEMBL8239135 0.86 ALDH1A1 (0.49) CTSSCTSKKLK5AAK1ALDH1A1
SCHEMBL8240522 0.85 PPARA (0.53) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL345468 0.81 ITGB3 (0.54) CTSSCTSKAAK1ALDH1A1MAPT
SCHEMBL8239145 0.81 ITGB3 (0.54) CTSSCTSKAAK1ALDH1A1MAPT
SCHEMBL21529047 0.78 CA1 (0.51) CTSSCTSKAAK1ALDH1A1MAPT
SCHEMBL21529048 0.78 CA1 (0.51) CTSSCTSKAAK1ALDH1A1MAPT
SCHEMBL13033014 0.78 AAK1 (0.50) CTSSCTSKAAK1ALDH1A1MAPT

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-8338471-B2 (2,5-dioxoimidazolidin-i-yl)-n-hydroxy-acetamides as metalloproteinase inhibitors MEDIVIR AB (SE) 2012-12-25 US disclosed
US-20120015994-A1 (2,5-DIOXOIMIDAZOLIDIN-I-YL)-N-HYDROXY-ACETAMIDES AS METALLOPROTEINASE INHIBITORS MEDIVIR AB (SE) 2012-01-19 US disclosed
US-8022092-B2 (2,5-dioxoimidazolidin-1-yl)-N-hydroxy-acetamides as metalloproteinase inhibitors MEDIVIR AB (SE) 2011-09-20 US disclosed
US-20090215846-A1 (2,5-DIOXOIMIDAZOLIDIN-I-YL)-N-HYDROXY-ACETAMIDES AS METALLOPROTEINASE INHIBITORS MEDIVIR AB (SE) 2009-08-27 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-20120015994-A1 (2,5-DIOXOIMIDAZOLIDIN-I-YL)-N-HYDROXY-ACETAMIDES AS METALLOPROTEINASE INHIBITORS MMP12, MMP13, MMP14 CTSS 186/4885CTSK 417/4885PSEN1 3046/4885
US-20090215846-A1 (2,5-DIOXOIMIDAZOLIDIN-I-YL)-N-HYDROXY-ACETAMIDES AS METALLOPROTEINASE INHIBITORS MMP12, MMP13, MMP14 CTSS 186/4885CTSK 417/4885PSEN1 3046/4885

“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.