SCHEMBL10201273

SCHEMBL10201273

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
ACE P12821 3/20 0.34
ROCK2 O75116 1/20 0.33
EPHX2 P34913 1/20 0.32
PARP1 P09874 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.31
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 1/20 0.30

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
SCHEMBL10248857 1.00 CASP3 (0.38) CASP3ACEROCK2EPHX2PARP1
SCHEMBL10565831 0.84 ACE (0.44) CASP3ACEROCK2EPHX2PARP1
SCHEMBL644711 0.82 ACE (0.40) CASP3ACEROCK2PARP1HSD17B10
SCHEMBL949749 0.82 ACE (0.40) CASP3ACEROCK2PARP1HSD17B10
SCHEMBL949486 0.79 CASP3 (0.39) CASP3ROCK2EPHX2PARP1HSD17B10
SCHEMBL949485 0.79 CASP3 (0.39) CASP3ROCK2EPHX2PARP1HSD17B10
SCHEMBL10201276 0.78 CASP3 (0.39) CASP3ROCK2EPHX2PARP1HSD17B10
SCHEMBL10248861 0.78 CASP3 (0.39) CASP3ROCK2EPHX2PARP1HSD17B10
SCHEMBL11108799 0.77 CASP3 (0.39) CASP3ACEROCK2EPHX2HSD17B10
SCHEMBL11113201 0.77 ACE (0.39) CASP3ACEROCK2EPHX2HSD17B10

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 85/4885ACE 16/4885ROCK2 2383/4885

“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.