SCHEMBL10200529

SCHEMBL10200529

COc1ccc(C(=O)C(=O)NN2CCC(=O)N3CCC[C@@H](C(=O)N[C@H](C=O)CC(C)=O)N3C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.49
IL1B P01584 2/20 0.49
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
LCK P06239 9/20 0.34
CTSK P43235 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 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
SCHEMBL10201615 0.95 CASP1 (0.56) CASP1IL1BALDH1A1MAPK1LCK
SCHEMBL13139785 0.92 CASP1 (0.54) CASP1IL1BALDH1A1MAPK1LCK
SCHEMBL10200519 0.91 CASP1 (0.56) CASP1IL1BLCKCTSK
SCHEMBL10200549 0.88 CASP1 (0.45) CASP1IL1BALDH1A1CTSK
SCHEMBL10200531 0.87 CASP1 (0.47) CASP1IL1BLCKCTSK
SCHEMBL13139631 0.87 CASP1 (0.61) CASP1IL1BALDH1A1LCKCTSK
SCHEMBL10200532 0.86 CASP1 (0.48) CASP1IL1BLCK
SCHEMBL10200526 0.86 CASP1 (0.44) CASP1IL1BALDH1A1CTSKTSHR
SCHEMBL10201605 0.85 CASP1 (0.64) CASP1IL1B
SCHEMBL10200514 0.85 CASP1 (0.53) 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 5 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-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-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 3/4885ALDH1A1 422/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885ALDH1A1 422/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885ALDH1A1 440/4885

“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.