SCHEMBL4553175

SCHEMBL4553175

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.48
CASP8 Q14790 14/20 0.44
CASP6 P55212 13/20 0.44
CASP7 P55210 2/20 0.41
CASP9 P55211 1/20 0.41
CASP1 P29466 1/20 0.40

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
SCHEMBL4553240 0.91 CASP3 (0.47) CASP3CASP8CASP6CASP7CASP1
SCHEMBL4556709 0.90 CASP3 (0.41) CASP3CASP8CASP6CASP7CASP9
SCHEMBL4551785 0.90 CASP3 (0.41) CASP3CASP8CASP6CASP7CASP9
SCHEMBL4556558 0.88 CASP3 (0.60) CASP3CASP8CASP6
SCHEMBL4556546 0.86 CASP3 (0.60) CASP3CASP8CASP6
SCHEMBL7896550 0.86 CASP3 (0.53) CASP3CASP8CASP6
SCHEMBL4556651 0.86 CASP3 (0.60) CASP3CASP8CASP6
SCHEMBL4557113 0.86 CASP3 (0.62) CASP3CASP8CASP6
SCHEMBL4556374 0.86 CASP3 (0.62) CASP3CASP8CASP6CASP7
SCHEMBL7643664 0.85 CASP3 (0.61) CASP3CASP8CASP6

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 13 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
EP-1754475-B1 Use of C-terminal modified oxamyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS INC (US) 2009-09-16 EP disclosed
US-20090214527-A1 Combination Of Anti-Madcam Antibody And Antifibrotic Caspase Inhibitor To Treat Liver Fibrosis BURGESS GARY 2009-08-27 US disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
EP-1754475-A1 Use of C-terminal modified oxamyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases Idun Pharmaceuticals, Inc. (US) 2007-02-21 EP disclosed
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 disclosed
US-7053056-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2005-01-27 US disclosed
US-6544951-B2 Antiinflammatory agents; autoimmune diseases, nervous system degradation IDUN PHARMACEUTICALS, INC. 2003-04-08 US disclosed
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-04-11 US disclosed
US-20020028774-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-03-07 US disclosed
US-6197750-B1 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS IDUN PHARMACEUTICALS, INC. 2001-03-06 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 (4 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-20020028774-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP CASP3 1/4885CASP8 68/4885CASP6 22/4885
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP CASP3 1/4885CASP8 68/4885CASP6 22/4885
US-20090214527-A1 Combination Of Anti-Madcam Antibody And Antifibrotic Caspase Inhibitor To Treat Liver Fibrosis CASP5, ADAM17, CASP1 CASP3 24/4885CASP8 44/4885CASP6 21/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 CASP3 1/4885CASP8 76/4885CASP6 28/4885

“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.