SCHEMBL13202011

SCHEMBL13202011

CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@H](C=O)CC(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GZMB P10144 3/20 0.44
CALCRL Q16602 4/20 0.43
XIAP P98170 2/20 0.43
MLX Q9UH92 1/20 0.43
ELANE P08246 6/20 0.43
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
REN P00797 1/20 0.38
ACE P12821 1/20 0.38
CASP3 P42574 2/20 0.38
CASP2 P42575 2/20 0.38

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
SCHEMBL12914540 0.83 SLC6A2 (0.54) CALCRLREN
SCHEMBL646710 0.83 SLC6A2 (0.54) CALCRLREN
SCHEMBL13079803 0.83 ELANE (0.47) GZMBXIAPELANERENACE
SCHEMBL13951109 0.80 XIAP (0.55) XIAPMLXELANE
SCHEMBL14209345 0.80 XIAP (0.55) XIAPMLXELANE
SCHEMBL30657497 0.80 CALCRL (0.44) CALCRLELANERENCASP3CASP2
SCHEMBL14209504 0.78 XIAP (0.47) XIAPMLXELANE
SCHEMBL13951211 0.78 XIAP (0.47) XIAPMLXELANE
SCHEMBL13951115 0.78 CASP1 (0.54) ELANEACE
SCHEMBL13928229 0.78 CASP1 (0.54) ELANEACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 US disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 GZMB 2387/4885CALCRL 229/4885XIAP 366/4885

“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.