SCHEMBL12450686

SCHEMBL12450686

CC(C)(C)OC(=O)C[C@@H](/C=N/NC(N)=O)NC(=O)C1CCc2ncc(NC(=O)c3ccccc3)c(=O)n21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
CTSK P43235 7/20 0.37
PLG P00747 1/20 0.33
CASP1 P29466 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
HDAC1 Q13547 5/20 0.31
PRSS1 P07477 1/20 0.31
HDAC3 O15379 2/20 0.30
HDAC2 Q92769 2/20 0.30
CTRC Q99895 1/20 0.30
MAPKAPK2 P49137 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
SCHEMBL12450689 0.90 F2 (0.41) F2F7F3CASP1HDAC1
SCHEMBL12946461 0.88 F2 (0.44) F2F7F3CTSKCASP1
SCHEMBL948645 0.78 F2 (0.41) F2F7F3CASP1HDAC1
SCHEMBL948643 0.78 F2 (0.39) F2F7F3CASP1PRSS1
SCHEMBL949467 0.77 CASP1 (0.48) F2F7F3CASP1
SCHEMBL12946455 0.76 F2 (0.41) F2F7F3CASP1HDAC1
SCHEMBL10200900 0.73 CASP1 (0.63) CASP1
SCHEMBL949465 0.72 F2 (0.41) F2F7F3CASP1HDAC1
SCHEMBL951229 0.72 F2 (0.47) F2F7F3
SCHEMBL950990 0.72 KMT2A (0.45) F2F7F3

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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 US disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 F2 1406/4885F7 1058/4885F3 727/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 F2 1406/4885F7 1058/4885F3 727/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 F2 1406/4885F7 1058/4885F3 727/4885

“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.