SCHEMBL4555732

SCHEMBL4555732

CC(C)[C@H](NC1(c2cccc3ccccc23)CCCCO1)C(=O)N[C@H](C=O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 15/20 0.46
CASP3 P42574 5/20 0.41
CASP6 P55212 1/20 0.38
CASP8 Q14790 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
SCHEMBL6054185 0.92 CASP1 (0.45) CASP1CASP3
SCHEMBL4556881 0.89 CASP1 (0.38) CASP1CASP3
SCHEMBL4553453 0.89 CASP1 (0.42) CASP1CASP3CASP6CASP8
SCHEMBL4555306 0.88 CASP1 (0.43) CASP1CASP3
SCHEMBL4553240 0.88 CASP3 (0.47) CASP1CASP3CASP6CASP8
SCHEMBL1896555 0.87 CASP1 (0.39) CASP1CASP3CASP8
SCHEMBL5669625 0.86 CASP1 (0.39) CASP1CASP3CASP6CASP8
SCHEMBL1897510 0.85 CASP1 (0.41) CASP1CASP3CASP8
SCHEMBL4556734 0.85 CASP1 (0.40) CASP1CASP3
SCHEMBL1896165 0.85 CASP1 (0.38) CASP1CASP3CASP6CASP8

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 5 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
EP-1904100-A1 NEW COMBINATION OF ANTI-MADCAM ANTIBODY AND ANTIFIBROTIC CASPASE INHIBITOR TO TREAT LIVER FIBROSIS Pfizer Limited (GB) 2008-04-02 EP disclosed
WO-2007007162-A1 NEW COMBINATION OF ANTI-MADCAM ANTIBODY AND ANTIFIBROTIC CASPASE INHIBITOR TO TREAT LIVER FIBROSIS PFIZER LIMITED (GB) 2007-01-18 WO 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 24/4885CASP6 21/4885

“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.