SCHEMBL10201276

SCHEMBL10201276

CC(C)(C)OC(=O)[C@@H]1CCCN2C(=O)NC[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
DDB1 Q16531 3/20 0.35
CRBN Q96SW2 3/20 0.35
ROCK2 O75116 1/20 0.35
EPHX2 P34913 1/20 0.34
UCHL1 P09936 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PARP1 P09874 1/20 0.33
CHRM2 P08172 1/20 0.33
OPRM1 P35372 1/20 0.33
IKZF3 Q9UKT9 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
SCHEMBL10248861 1.00 CASP3 (0.39) CASP3L3MBTL1DDB1CRBNROCK2
SCHEMBL10561930 0.87 CASP3 (0.39) CASP3L3MBTL1DDB1CRBNROCK2
SCHEMBL7615477 0.85 ACE (0.38) CASP3L3MBTL1DDB1CRBNEPHX2
SCHEMBL7615481 0.85 ACE (0.38) CASP3L3MBTL1DDB1CRBNEPHX2
SCHEMBL7612828 0.85 ACE (0.38) CASP3L3MBTL1DDB1CRBNEPHX2
SCHEMBL3264771 0.83 CASP3 (0.40) CASP3L3MBTL1DDB1CRBNROCK2
SCHEMBL3077234 0.79 CASP3 (0.38) CASP3L3MBTL1ROCK2EPHX2UCHL1
SCHEMBL2219834 0.79 CASP3 (0.38) CASP3L3MBTL1ROCK2EPHX2UCHL1
SCHEMBL10248656 0.79 CASP3 (0.38) CASP3L3MBTL1ROCK2EPHX2UCHL1
SCHEMBL10566783 0.79 DDB1 (0.38) CASP3L3MBTL1DDB1CRBNALDH1A1

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 1 patent. 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

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP3 85/4885L3MBTL1 2087/4885DDB1 857/4885

“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.