SCHEMBL2391834

SCHEMBL2391834

COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.56
CMA1 P23946 4/20 0.53
REN P00797 1/20 0.53
CTSD P07339 2/20 0.48
CTSE P14091 2/20 0.48
BACE1 P56817 2/20 0.48
CTSK P43235 7/20 0.48
CTSL P07711 4/20 0.48
CTSS P25774 3/20 0.48
ELANE P08246 1/20 0.48
CTSB P07858 1/20 0.47

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
SCHEMBL20335531 0.94 MALT1 (0.55) MALT1CMA1RENCTSDCTSE
SCHEMBL20335530 0.94 MALT1 (0.55) MALT1CMA1RENCTSDCTSE
SCHEMBL20335533 0.94 MALT1 (0.55) MALT1CMA1RENCTSDCTSE
SCHEMBL20353398 0.94 MALT1 (0.54) MALT1CMA1RENCTSDCTSE
SCHEMBL12257217 0.92 MALT1 (0.52) MALT1CMA1RENCTSDCTSE
SCHEMBL28051124 0.91 CMA1 (0.57) MALT1CMA1RENCTSKCTSL
SCHEMBL12308843 0.90 MALT1 (0.51) MALT1CMA1RENCTSDCTSE
SCHEMBL15061604 0.90 MALT1 (0.52) MALT1CMA1RENCTSDCTSE
SCHEMBL25216227 0.89 MALT1 (0.55) MALT1CMA1RENCTSDCTSE
SCHEMBL12257215 0.87 MALT1 (0.52) MALT1CMA1RENCTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
EP-2086993-B1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2015-03-11 EP disclosed
US-8471063-B2 Michael systems as transglutaminase inhibitors ZEDIRA GMBH (DE) 2013-06-25 US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 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-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS TGM2, TGM3, TGM1 MALT1 385/4885CMA1 114/4885REN 1458/4885

“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.