SCHEMBL4552032

SCHEMBL4552032

CSCC[C@H](NC1(c2cccc3ccccc23)CCCCO1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.34
BACE1 P56817 12/20 0.34
CASP3 P42574 3/20 0.32
CASP6 P55212 3/20 0.32
CASP8 Q14790 3/20 0.32
REN P00797 2/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL5492769 0.82 CASP3 (0.35) CASP3CASP6CASP8
SCHEMBL4565945 0.80 CASP3 (0.38) CASP3CASP6CASP8
SCHEMBL4553096 0.78 CASP3 (0.41) CASP3CASP6CASP8
SCHEMBL4551791 0.76 CASP3 (0.35) CASP3CASP6CASP8REN
SCHEMBL6054189 0.74 CASP3 (0.43) CASP3CASP6CASP8
SCHEMBL5670095 0.74 CASP3 (0.52) CASP3CASP6CASP8
SCHEMBL4556844 0.72 CASP3 (0.55) CASP3CASP6CASP8
SCHEMBL7642622 0.71 CASP3 (0.34) CASP3CASP6CASP8REN
SCHEMBL1898227 0.70 CASP3 (0.58) CASP3CASP6CASP8
SCHEMBL4552009 0.70 CASP3 (0.34) CASP3CASP6CASP8REN

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1351975-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2003-10-15 EP disclosed
US-6544951-B2 Antiinflammatory agents; autoimmune diseases, nervous system degradation IDUN PHARMACEUTICALS, INC. 2003-04-08 US disclosed
WO-2002057298-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2002-07-25 WO 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 (3 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 CTSD 311/4885BACE1 456/4885CASP3 1/4885
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP CTSD 311/4885BACE1 456/4885CASP3 1/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 CTSD 332/4885BACE1 485/4885CASP3 1/4885

“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.