SCHEMBL10201660

SCHEMBL10201660

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.39
ACE P12821 3/20 0.35
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ROCK2 O75116 1/20 0.32
UCHL1 P09936 1/20 0.31
NPC1 O15118 1/20 0.31
SCN4A P35499 1/20 0.31
EPHX2 P34913 1/20 0.31
PARP1 P09874 1/20 0.31
AVPR2 P30518 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KLK7 P49862 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
SCHEMBL10201668 0.86 FKBP1A (0.38) CASP3ACEKMT2A
SCHEMBL12443735 0.83 CASP3 (0.39) CASP3ACEHSD17B10ROCK2UCHL1
SCHEMBL10201656 0.81 CASP3 (0.36) CASP3ACEHSD17B10ROCK2UCHL1
SCHEMBL949749 0.81 ACE (0.40) CASP3ACEHSD17B10ROCK2UCHL1
SCHEMBL644711 0.81 ACE (0.40) CASP3ACEHSD17B10ROCK2UCHL1
SCHEMBL11113427 0.79 CASP3 (0.40) CASP3ACEHSD17B10KDM4EROCK2
SCHEMBL10671600 0.79 ACE (0.41) CASP3ACEHSD17B10ROCK2UCHL1
SCHEMBL7326668 0.78 CASP3 (0.36) CASP3ACEHSD17B10KDM4EROCK2
SCHEMBL10565831 0.78 ACE (0.44) CASP3ACEHSD17B10ROCK2NPC1
SCHEMBL7323145 0.77 CASP3 (0.36) CASP3ACEHSD17B10KDM4EROCK2

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 3 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

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 CASP3 85/4885ACE 16/4885HSD17B10 1135/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP3 85/4885ACE 16/4885HSD17B10 1135/4885

“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.