SCHEMBL10200314

SCHEMBL10200314

COc1ccccc1C(=O)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(CC(=O)N[C@H](C=O)CC(C)=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XIAP P98170 20/20 0.42
CYP3A4 P08684 6/20 0.42

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
SCHEMBL10200325 0.93 XIAP (0.44) XIAPCYP3A4
SCHEMBL10200315 0.93 XIAP (0.42) XIAPCYP3A4
SCHEMBL10201826 0.88 XIAP (0.41) XIAPCYP3A4
SCHEMBL10201859 0.88 XIAP (0.43) XIAPCYP3A4
SCHEMBL10199522 0.88 XIAP (0.42) XIAPCYP3A4
SCHEMBL10200312 0.88 XIAP (0.42) XIAPCYP3A4
SCHEMBL10200339 0.86 XIAP (0.44) XIAPCYP3A4
SCHEMBL13139729 0.85 XIAP (0.41) XIAP
SCHEMBL10200288 0.84 XIAP (0.40) XIAPCYP3A4
SCHEMBL10200316 0.84 XIAP (0.41) XIAPCYP3A4

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B XIAP 257/4885CYP3A4 2587/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B XIAP 257/4885CYP3A4 2587/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 XIAP 276/4885CYP3A4 2353/4885

“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.