SCHEMBL21883788

SCHEMBL21883788

CC(C)(C)OC(=O)N[C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.53
MMP3 P08254 2/20 0.53
MMP9 P14780 2/20 0.53
CTSS P25774 3/20 0.50
CTSK P43235 3/20 0.50
CTSL P07711 5/20 0.49
CTSB P07858 3/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
BACE1 P56817 2/20 0.47
ACE P12821 1/20 0.46

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
SCHEMBL18941938 0.94 CTSS (0.57) MMP1MMP3MMP9CTSSCTSK
SCHEMBL28198598 0.89 CTSS (0.57) CTSSCTSKCTSLCTSBPOLB
SCHEMBL28198599 0.89 CTSS (0.57) CTSSCTSKCTSLCTSBPOLB
SCHEMBL10857658 0.89 CTSS (0.57) CTSSCTSKCTSLCTSBPOLB
SCHEMBL20825233 0.89 REN (0.58) MMP1MMP3MMP9CTSSCTSK
SCHEMBL17452275 0.87 CTSS (0.59) MMP1MMP3MMP9CTSSCTSK
SCHEMBL17452230 0.85 CTSK (0.53) MMP1MMP3MMP9CTSSCTSK
SCHEMBL27487988 0.85 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL27487987 0.85 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL3821800 0.85 CTSS (0.65) CTSSCTSKCTSLCTSBACE

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-10787482-B2 Epoxyketone compounds for enzyme inhibition Centrax International Inc. (US) 2020-09-29 US disclosed
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2020-03-19 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-10787482-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 MMP1 1886/4885MMP3 2080/4885MMP9 1939/4885
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 MMP1 1886/4885MMP3 2080/4885MMP9 1939/4885

“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.