SCHEMBL4552820

SCHEMBL4552820

C[C@H](NC1(c2ccccc2C(C)(C)C)CCCCO1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.51
CASP6 P55212 13/20 0.48
CASP8 Q14790 13/20 0.48

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
SCHEMBL1897560 0.92 CASP3 (0.60) CASP3CASP6CASP8
SCHEMBL3285382 0.91 CASP3 (0.50) CASP3CASP6CASP8
SCHEMBL4565945 0.87 CASP3 (0.38) CASP3CASP6CASP8
SCHEMBL1893933 0.86 CASP3 (0.57) CASP3CASP6CASP8
SCHEMBL4556858 0.86 CASP3 (0.62) CASP3CASP6CASP8
SCHEMBL4556832 0.83 CASP3 (0.56) CASP3CASP6CASP8
SCHEMBL15949720 0.82 CASP3 (0.42) CASP3CASP6CASP8
SCHEMBL4556879 0.82 CASP3 (0.59) CASP3CASP6CASP8
SCHEMBL4556825 0.81 CASP3 (0.57) CASP3CASP6CASP8
SCHEMBL1898227 0.81 CASP3 (0.58) CASP3CASP6CASP8

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-3142649-B1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITOR EMRICASAN CONATUS PHARMACEUTICALS INC (US) 2019-07-24 EP disclosed
EP-3444011-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH EMRICASAN Conatus Pharmaceuticals, Inc. (US) 2019-02-20 EP disclosed
EP-3397251-A1 METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE Conatus Pharmaceuticals, Inc. (US) 2018-11-07 EP disclosed
WO-2017117478-A1 METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE CONATUS PHARMACEUTICALS INC. (US) 2017-07-06 WO disclosed
US-20170100448-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS CONATUS PHARMACEUTICALS INC (US) 2017-04-13 US disclosed
US-20160213736-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE CONATUS PHARMACEUTICALS, INC. 2016-07-28 US disclosed
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
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-20170100448-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS CASP1, CASP2, CASP5 CASP3 6/4885CASP6 10/4885CASP8 8/4885
US-20160213736-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE CASP1, SERPINB1, CASP2 CASP3 8/4885CASP6 12/4885CASP8 15/4885
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP CASP3 1/4885CASP6 22/4885CASP8 68/4885

“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.