SCHEMBL5527591

SCHEMBL5527591

CCc1nc(C(=O)C(CC)OC(N)=O)no1

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
APOBEC3A P31941 1/20 0.30
HSD17B10 Q99714 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
TPSAB1 Q15661 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
SCHEMBL5527583 1.00 KDM4E (0.30) KDM4EALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL5528921 0.80 HDAC4 (0.39)
SCHEMBL5528930 0.80 HDAC4 (0.39)
SCHEMBL5525299 0.79 SMYD3 (0.42)
SCHEMBL5525293 0.79 SMYD3 (0.42)
SCHEMBL5526079 0.79 SMYD3 (0.42)
SCHEMBL5954912 0.77 PRSS1 (0.33) KDM4EALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL5955726 0.77 PRSS1 (0.33) KDM4EALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL5524548 0.77 HDAC6 (0.49) KDM4EHSD17B10
SCHEMBL5524543 0.77 HDAC6 (0.49) KDM4EHSD17B10

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
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP claimed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US claimed
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 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 (1 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-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF KDM4E 3939/4885ALOX15 1780/4885APOBEC3A 580/4885

“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.