SCHEMBL10248525

SCHEMBL10248525

CCc1cc(C(=O)C(=O)NN2CCC(=O)N3CCC[C@@H](C(=O)N[C@H](C=O)CC(C)=O)N3C2=O)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.43
IL1B P01584 2/20 0.41
CTSK P43235 2/20 0.34
FKBP1A P62942 2/20 0.33
LCK P06239 3/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
SIRT5 Q9NXA8 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
SCHEMBL10200549 0.95 CASP1 (0.45) CASP1IL1BCTSKFKBP1AABCG2
SCHEMBL10201642 0.90 CASP1 (0.52) CASP1IL1BCTSKFKBP1AABCG2
SCHEMBL10200529 0.85 CASP1 (0.49) CASP1IL1BCTSKLCK
SCHEMBL10200531 0.84 CASP1 (0.47) CASP1IL1BCTSKLCK
SCHEMBL10200519 0.84 CASP1 (0.56) CASP1IL1BCTSKLCK
SCHEMBL10200532 0.83 CASP1 (0.48) CASP1IL1BLCK
SCHEMBL13139610 0.83 CASP1 (0.55) CASP1IL1BCTSKABCG2SIRT5
SCHEMBL10200526 0.82 CASP1 (0.44) CASP1IL1BCTSK
SCHEMBL10200551 0.81 CASP1 (0.48) CASP1IL1BLCK
SCHEMBL10200539 0.81 CASP1 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885CTSK 133/4885

“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.