SCHEMBL10248534

SCHEMBL10248534

CC(C)(C)OC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.41
CASP1 P29466 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
USP30 Q70CQ3 1/20 0.36
CASP3 P42574 1/20 0.36
AVPR2 P30518 1/20 0.36
KLK7 P49862 1/20 0.36
MME P08473 1/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.34
FKBP1A P62942 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL10284940 0.86 ACE (0.46) ACECASP1MMEHTT
SCHEMBL10201656 0.85 CASP3 (0.36) ACEUSP30CASP3AVPR2KLK7
SCHEMBL10202054 0.82 CASP1 (0.57) ACECASP1KDM4EPKM
SCHEMBL10199599 0.82 CASP1 (0.57) ACECASP1KDM4EPKM
SCHEMBL10247720 0.82 CASP1 (0.57) ACECASP1KDM4EPKM
SCHEMBL1409094 0.81 CASP1 (0.59) ACECASP1CASP3MME
SCHEMBL2219237 0.81 CASP1 (0.59) ACECASP1CASP3MME
SCHEMBL10199382 0.79 CASP1 (0.49) CASP1CASP3
SCHEMBL10247722 0.79 CASP1 (0.49) CASP1CASP3
SCHEMBL13178923 0.77 CASP1 (0.42) ACECASP1KDM4ECASP3MME

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-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 (2 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 ACE 16/4885CASP1 6/4885KDM4E 3261/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 ACE 19/4885CASP1 5/4885KDM4E 3018/4885

“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.