SCHEMBL10201629

SCHEMBL10201629

Cc1cc(C)c(C(=O)C(=O)NN2CCC(=O)N3CCC[C@@H](C(=O)N[C@H](C=O)CC(=O)O)N3C2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.51
IL1B P01584 2/20 0.48
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
GZMB P10144 3/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
OPRM1 P35372 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
F2 P00734 1/20 0.30
PLG P00747 1/20 0.30
CAPN1 P07384 1/20 0.30
CTSB P07858 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
SCHEMBL10200539 0.94 CASP1 (0.43) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10201638 0.88 CASP1 (0.51) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10201605 0.85 CASP1 (0.64) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10201619 0.85 CASP1 (0.53) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10248039 0.84 CASP1 (0.56) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10199580 0.84 CASP1 (0.56) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10201642 0.83 CASP1 (0.52) CASP1IL1BITGB1ITGA4CAPN1
SCHEMBL13139613 0.83 CASP1 (0.58) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10201615 0.83 CASP1 (0.56) CASP1IL1BITGB1ITGA4
SCHEMBL10199852 0.83 CASP1 (0.55) CASP1IL1BITGB1ITGA4GZMB

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 3/4885ITGB1 1654/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885ITGB1 1654/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885ITGB1 2331/4885

“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.