SCHEMBL949088

SCHEMBL949088

C[C@H](NC1CC(=O)OC1OCc1ccccc1)C(=O)NC(=O)c1c[nH]c(CCc2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.35
CASP3 P42574 9/20 0.35
CASP7 P55210 8/20 0.35
CASP6 P55212 7/20 0.35
CASP8 Q14790 7/20 0.35
MMP2 P08253 1/20 0.34
PSMB5 P28074 4/20 0.33
PSMB1 P20618 2/20 0.33
PSMB2 P49721 2/20 0.33
PSMB11 A5LHX3 1/20 0.33
PSMD11 O00231 1/20 0.33
PSMD12 O00232 1/20 0.33
PSMD14 O00487 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMD3 O43242 1/20 0.33
PSMC3 P17980 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 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
SCHEMBL952741 0.93 PDE2A (0.37) MMP2
SCHEMBL4455598 0.93 PDE2A (0.34) CASP1CASP3CASP7CASP6CASP8
SCHEMBL949112 0.92 CASP1 (0.35) CASP1CASP3CASP7CASP6CASP8
SCHEMBL949086 0.87 CASP3 (0.39) CASP1CASP3CASP7CASP6CASP8
SCHEMBL950252 0.86 CASP1 (0.35) CASP1CASP3CASP7CASP6CASP8
SCHEMBL949260 0.83 NAAA (0.34) CASP1CASP3CASP7CASP6CASP8
SCHEMBL948261 0.82 CASP3 (0.35) CASP1CASP3CASP7CASP6CASP8
SCHEMBL952739 0.81 PDE2A (0.40) CASP1CASP3CASP7CASP6CASP8
SCHEMBL948808 0.81 CASP3 (0.38) CASP1CASP3CASP7CASP6CASP8
SCHEMBL949530 0.80 CASP3 (0.38) CASP1CASP3CASP7CASP6CASP8

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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 US disclosed
EP-2123665-A2 Inhibitors of interleukin-1Beta converting enzyme Vertex Pharmaceuticals Incorporated (US) 2009-11-25 EP disclosed
EP-1394175-A1 Inhibitors of interleukin-1beta converting enzyme Vertex Pharmaceuticals Incorporated (US) 2004-03-03 EP disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 WO 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 (1 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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CASP1 5/4885CASP3 542/4885CASP7 316/4885

“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.