SCHEMBL13202084

SCHEMBL13202084

CC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC=O)C(=O)COCc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.47
ELANE P08246 1/20 0.46
CASP3 P42574 3/20 0.43
CTSB P07858 4/20 0.42
CTSK P43235 4/20 0.42
CASP6 P55212 2/20 0.42
CASP8 Q14790 2/20 0.42
CASP7 P55210 1/20 0.42
CTSL P07711 1/20 0.41
REN P00797 1/20 0.41
CCR1 P32246 1/20 0.41
CA1 P00915 1/20 0.41
PSMB5 P28074 1/20 0.40
CTSD P07339 1/20 0.40

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
SCHEMBL13202009 1.00 CASP1 (0.47) CASP1ELANECASP3CTSBCTSK
SCHEMBL13197161 0.90 CASP1 (0.59) CASP1ELANECASP3CASP6CASP8
SCHEMBL12946446 0.90 CASP1 (0.59) CASP1ELANECASP3CASP6CASP8
SCHEMBL949009 0.90 CASP1 (0.59) CASP1ELANECASP3CASP6CASP8
SCHEMBL8402109 0.90 CASP1 (0.59) CASP1ELANECASP3CASP6CASP8
SCHEMBL8721803 0.80 CASP1 (0.43) CASP1ELANECASP3CTSBCTSK
SCHEMBL8649223 0.79 ELANE (0.49) CASP1ELANECASP3CTSBCTSK
SCHEMBL8247253 0.78 CASP3 (0.67) CASP1CASP3CASP6CASP8
SCHEMBL7745119 0.78 CASP3 (0.67) CASP1CASP3CASP6CASP8
SCHEMBL30472164 0.76 CASP3 (0.47) CASP1ELANECASP3CTSBCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 US disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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 (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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CASP1 5/4885ELANE 140/4885CASP3 542/4885

“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.