SCHEMBL10201656

SCHEMBL10201656

CC(=O)NN1CCC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)N2C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.36
NPC1 O15118 1/20 0.33
ACE P12821 2/20 0.33
LCK P06239 2/20 0.32
AVPR2 P30518 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KLK7 P49862 1/20 0.30
ROCK2 O75116 1/20 0.30
HSD17B10 Q99714 1/20 0.30
UCHL1 P09936 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL10201670 0.89 FKBP1A (0.36) CASP3ACELCKKMT2A
SCHEMBL10248534 0.85 ACE (0.41) CASP3ACEAVPR2MEN1KMT2A
SCHEMBL10201660 0.81 CASP3 (0.39) CASP3NPC1ACEAVPR2MEN1
SCHEMBL12443735 0.80 CASP3 (0.39) CASP3NPC1ACEAVPR2LMNA
SCHEMBL1410178 0.78 LCK (0.45) CASP3ACELCK
SCHEMBL1410179 0.78 LCK (0.45) CASP3ACELCK
SCHEMBL11113427 0.76 CASP3 (0.40) CASP3NPC1ACEMEN1KMT2A
SCHEMBL10671600 0.75 ACE (0.41) CASP3NPC1ACELCKROCK2
SCHEMBL644711 0.74 ACE (0.40) CASP3NPC1ACELCKROCK2
SCHEMBL949749 0.74 ACE (0.40) CASP3NPC1ACELCKROCK2

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 85/4885NPC1 948/4885ACE 16/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP3 85/4885NPC1 948/4885ACE 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.