SCHEMBL25465166

SCHEMBL25465166

CCC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(C)C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.65
CTSB P07858 7/20 0.52
CTSK P43235 7/20 0.52
CASP3 P42574 3/20 0.51
CASP1 P29466 1/20 0.51
CASP4 P49662 1/20 0.51
CASP5 P51878 1/20 0.51
CASP9 P55211 1/20 0.51
CASP6 P55212 1/20 0.51
CASP8 Q14790 1/20 0.51
CASP10 Q92851 1/20 0.51
REN P00797 1/20 0.49
PSMB1 P20618 1/20 0.47
PSMB2 P49721 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL30500174 1.00 PSMB5 (0.65) PSMB5CTSBCTSKCASP3CASP1
SCHEMBL16024932 1.00 PSMB5 (0.65) PSMB5CTSBCTSKCASP3CASP1
SCHEMBL12826819 1.00 PSMB5 (0.65) PSMB5CTSBCTSKCASP3CASP1
SCHEMBL6662946 0.87 PSMB5 (0.55) PSMB5CTSBCTSKCASP3CASP1
SCHEMBL23644903 0.85 PSMB5 (0.63) PSMB5CTSBCTSKCASP3CASP1
SCHEMBL6666188 0.84 CTSB (0.57) PSMB5CTSBCTSKCASP3CASP1
SCHEMBL22697479 0.83 CASP3 (0.63) PSMB5CTSBCTSKCASP3PSMB1
SCHEMBL29421135 0.83 CASP3 (0.63) PSMB5CTSBCTSKCASP3PSMB1
SCHEMBL30697417 0.83 CASP3 (0.63) PSMB5CTSBCTSKCASP3PSMB1
SCHEMBL24759756 0.83 CTSK (0.61) PSMB5CTSBCTSKPSMB1PSMB2

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-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-05-11 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-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF ACE2, ACE, SARS1 PSMB5 1104/4885CTSB 31/4885CTSK 86/4885

“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.