SCHEMBL4556540

SCHEMBL4556540

CC(C)[C@H](NC1(Cc2ccccc2)CCCCO1)C(=O)N[C@H](C=O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.43
CASP3 P42574 5/20 0.40
CTSB P07858 4/20 0.39
CTSL P07711 3/20 0.39
CTSK P43235 3/20 0.39
CASP7 P55210 3/20 0.39
CASP8 Q14790 2/20 0.39
IL1B P01584 1/20 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
SCHEMBL4555747 0.91 CASP1 (0.46) CASP1CASP3CASP7CASP8IL1B
SCHEMBL6054156 0.90 CASP1 (0.43) CASP1CTSBCTSLCTSKIL1B
SCHEMBL4556632 0.87 CASP1 (0.50) CASP1CASP3CASP8
SCHEMBL4555306 0.83 CASP1 (0.43) CASP1CASP3
SCHEMBL1897510 0.81 CASP1 (0.41) CASP1CASP3CTSBCTSLCTSK
SCHEMBL6054160 0.79 PTGES (0.37) CASP1
SCHEMBL1896555 0.79 CASP1 (0.39) CASP1CASP3CASP7CASP8
SCHEMBL4555732 0.78 CASP1 (0.46) CASP1CASP3CASP8
SCHEMBL5669625 0.78 CASP1 (0.39) CASP1CASP3CASP7CASP8
SCHEMBL6054176 0.78 CASP1 (0.49) CASP1CASP3CASP8

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
EP-1091930-B1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS INC (US) 2006-12-13 EP claimed
US-6544951-B2 Antiinflammatory agents; autoimmune diseases, nervous system degradation IDUN PHARMACEUTICALS, INC. 2003-04-08 US claimed
US-20090214527-A1 Combination Of Anti-Madcam Antibody And Antifibrotic Caspase Inhibitor To Treat Liver Fibrosis BURGESS GARY 2009-08-27 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-20090214527-A1 Combination Of Anti-Madcam Antibody And Antifibrotic Caspase Inhibitor To Treat Liver Fibrosis CASP5, ADAM17, CASP1 CASP1 3/4885CASP3 24/4885CTSB 63/4885

“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.