SCHEMBL10200510

SCHEMBL10200510

CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3cc4ccccc4[nH]3)C(=O)N12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.48
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
IL1B P01584 2/20 0.46
CTSB P07858 1/20 0.39

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
SCHEMBL10199740 0.93 CASP1 (0.56) CASP1F2F10PLGPRSS1
SCHEMBL10247870 0.93 CASP1 (0.56) CASP1F2F10PLGPRSS1
SCHEMBL10200509 0.85 CASP1 (0.48) CASP1F2F10PLGPRSS1
SCHEMBL10200514 0.83 CASP1 (0.53) CASP1F2PLGIL1B
SCHEMBL10200508 0.82 CASP1 (0.53) CASP1IL1BCTSB
SCHEMBL10200519 0.82 CASP1 (0.56) CASP1F2F10PLGPRSS1
SCHEMBL10200520 0.82 CASP1 (0.54) CASP1F2PLGIL1BCTSB
SCHEMBL10200453 0.82 CASP1 (0.52) CASP1F2F10PLGPRSS1
SCHEMBL10200518 0.81 CASP1 (0.54) CASP1F2PLGIL1BCTSB
SCHEMBL13139785 0.81 CASP1 (0.54) CASP1IL1B

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 6/4885F2 1160/4885F10 1201/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885F2 1160/4885F10 1201/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885F2 1110/4885F10 1057/4885

“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.