SCHEMBL10200531

SCHEMBL10200531

COc1cccc(OC)c1C(=O)C(=O)NN1CCC(=O)N2CCC[C@@H](C(=O)N[C@H](C=O)CC(C)=O)N2C1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.47
IL1B P01584 2/20 0.43
CTSK P43235 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CAPN1 P07384 2/20 0.32
TACR1 P25103 1/20 0.32
GZMB P10144 1/20 0.32
DRD2 P14416 1/20 0.32
LCK P06239 2/20 0.32

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
SCHEMBL10201619 0.95 CASP1 (0.53) CASP1IL1BCTSKMEN1KMT2A
SCHEMBL10200532 0.92 CASP1 (0.48) CASP1IL1BKMT2ACAPN1TACR1
SCHEMBL10200519 0.88 CASP1 (0.56) CASP1IL1BCTSKCAPN1LCK
SCHEMBL10200549 0.87 CASP1 (0.45) CASP1IL1BCTSK
SCHEMBL10200529 0.87 CASP1 (0.49) CASP1IL1BCTSKLCK
SCHEMBL10201617 0.87 CASP1 (0.54) CASP1IL1BCTSKMEN1KMT2A
SCHEMBL10200539 0.86 CASP1 (0.43) CASP1IL1BGZMBLCK
SCHEMBL13139769 0.86 CASP1 (0.48) CASP1IL1BMEN1KMT2ALCK
SCHEMBL10200474 0.85 CASP1 (0.61) CASP1IL1BLCK
SCHEMBL10200522 0.85 CASP1 (0.46) CASP1IL1BLCK

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 CASP1 6/4885IL1B 3/4885CTSK 133/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885CTSK 133/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885CTSK 129/4885

“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.