SCHEMBL10200518

SCHEMBL10200518

CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)CCc3ccccc3)C(=O)N12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.54
IL1B P01584 4/20 0.48
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37
LCK P06239 1/20 0.36
CTSB P07858 1/20 0.36
CAPN1 P07384 1/20 0.36

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
SCHEMBL10201600 0.94 CASP1 (0.61) CASP1IL1BF2PLG
SCHEMBL10200520 0.93 CASP1 (0.54) CASP1IL1BF2PLGMME
SCHEMBL10200527 0.92 CASP1 (0.46) CASP1IL1BALDH1A1LCK
SCHEMBL10200533 0.87 CASP1 (0.43) CASP1IL1BALDH1A1CYP2C19
SCHEMBL10201622 0.87 CASP1 (0.53) CASP1IL1BALDH1A1LCK
SCHEMBL10200453 0.86 CASP1 (0.52) CASP1IL1BF2PLGMME
SCHEMBL10200519 0.86 CASP1 (0.56) CASP1IL1BF2PLGMME
SCHEMBL10248120 0.86 CASP1 (0.62) CASP1IL1BF2PLGMME
SCHEMBL10199965 0.86 CASP1 (0.62) CASP1IL1BF2PLGMME
SCHEMBL10200540 0.86 CASP1 (0.47) CASP1IL1BF2PLGLCK

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 3/4885F2 1160/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885F2 1160/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885F2 1110/4885

“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.