SCHEMBL10247720

SCHEMBL10247720

CC(C)(C)OC(=O)CC(C=O)NC(=O)C1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.57
IL1B P01584 2/20 0.49
ACE P12821 2/20 0.35
F2 P00734 3/20 0.34
PLG P00747 3/20 0.34
LCK P06239 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
PRSS1 P07477 2/20 0.33
CMA1 P23946 1/20 0.33
F10 P00742 1/20 0.33
KLK5 Q9Y337 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
SCHEMBL10199599 1.00 CASP1 (0.57) CASP1IL1BACEF2PLG
SCHEMBL10202054 1.00 CASP1 (0.57) CASP1IL1BACEF2PLG
SCHEMBL10199605 0.89 CASP1 (0.71) CASP1IL1BACEF2PLG
SCHEMBL10201703 0.87 CASP1 (0.45) CASP1IL1BF2PLGPRSS1
SCHEMBL10247884 0.85 CASP1 (0.80) CASP1IL1BACELCK
SCHEMBL10199344 0.85 CASP1 (0.80) CASP1IL1BACELCK
SCHEMBL10199879 0.85 CASP1 (0.63) CASP1IL1BF2PLGLCK
SCHEMBL10248162 0.85 CASP1 (0.63) CASP1IL1BF2PLGLCK
SCHEMBL10199850 0.84 CASP1 (0.64) CASP1IL1BACEF2PLG
SCHEMBL10247963 0.84 CASP1 (0.64) CASP1IL1BACEF2PLG

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 4 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-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-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 3/4885ACE 16/4885

“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.