SCHEMBL10201617

SCHEMBL10201617

COc1ccccc1C(=O)C(=O)NN1CCC(=O)N2CCC[C@@H](C(=O)N[C@H](C=O)CC(=O)O)N2C1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.54
IL1B P01584 2/20 0.54
CAPN1 P07384 2/20 0.34
TACR1 P25103 1/20 0.34
KMT2A Q03164 2/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
MEN1 O00255 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
CTSK P43235 1/20 0.33
GZMB P10144 1/20 0.33

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
SCHEMBL10200532 0.95 CASP1 (0.48) CASP1IL1BCAPN1TACR1KMT2A
SCHEMBL10284650 0.93 CASP1 (0.57) CASP1IL1BKMT2A
SCHEMBL10263590 0.93 CASP1 (0.57) CASP1IL1BKMT2A
SCHEMBL10201619 0.92 CASP1 (0.53) CASP1IL1BCAPN1TACR1KMT2A
SCHEMBL10201605 0.88 CASP1 (0.64) CASP1IL1BITGB1ITGA4F2
SCHEMBL10201642 0.87 CASP1 (0.52) CASP1IL1BCAPN1ITGB1ITGA4
SCHEMBL10200531 0.87 CASP1 (0.47) CASP1IL1BCAPN1TACR1KMT2A
SCHEMBL10201615 0.87 CASP1 (0.56) CASP1IL1BKMT2AITGB1ITGA4
SCHEMBL10200519 0.85 CASP1 (0.56) CASP1IL1BCAPN1F2PLG
SCHEMBL13139613 0.84 CASP1 (0.58) CASP1IL1BITGB1ITGA4F2

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 9 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-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-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-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-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 3/4885CAPN1 192/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885CAPN1 192/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885CAPN1 150/4885

“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.