SCHEMBL4424248

SCHEMBL4424248

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CASP3 P42574 14/20 0.35
CASP6 P55212 12/20 0.35
CASP8 Q14790 12/20 0.35
CASP7 P55210 1/20 0.35
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL23268871 1.00 CYP2D6 (0.36) CYP2D6KDM4EALDH1A1MAPTHTT
SCHEMBL627300 0.92 CYP2D6 (0.37) CYP2D6KDM4EALDH1A1MAPTHTT
SCHEMBL627299 0.92 CYP2D6 (0.37) CYP2D6KDM4EALDH1A1MAPTHTT
SCHEMBL4421626 0.92 CYP2D6 (0.37) CYP2D6KDM4EALDH1A1MAPTHTT
SCHEMBL12716141 0.85 CYP2D6 (0.35) CYP2D6KDM4EALDH1A1MAPTHTT
SCHEMBL20827204 0.85 MAPT (0.36) CYP2D6KDM4EALDH1A1MAPTHTT
SCHEMBL7357612 0.82 MAPK1 (0.40) ALDH1A1CASP3CASP6CASP8
SCHEMBL4420429 0.82 MAPK1 (0.40) ALDH1A1CASP3CASP6CASP8
SCHEMBL79263 0.82 MAPT (0.35) CYP2D6KDM4EALDH1A1MAPTHTT
SCHEMBL473148 0.82 MAPT (0.35) CYP2D6KDM4EALDH1A1MAPTHTT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434212-B2 Bicyclic compound as a caspase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-09-06 US disclosed
EP-3572402-B1 LINKED CYCLIC COMPOUND AS CASPASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-05-04 EP disclosed
US-20210332019-A1 Bicyclic Compound as a Caspase Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-10-28 US disclosed
WO-2021073643-A1 DRUG FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS 正大天晴药业集团股份有限公司 2021-04-22 WO disclosed
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
US-20190022043-A1 METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE CONATUS PHARMACEUTICALS INC (US) 2019-01-24 US 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-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
EP-1091930-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-04-18 EP disclosed
US-6197750-B1 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS IDUN PHARMACEUTICALS, INC. 2001-03-06 US disclosed
WO-2000001666-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-01-13 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 (7 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-20190022043-A1 METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE CASP1, CASP5, CASP2 CYP2D6 2779/4885KDM4E 2713/4885ALDH1A1 1171/4885
US-20020028774-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP CYP2D6 4245/4885KDM4E 2938/4885ALDH1A1 4170/4885
US-20170100448-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS CASP1, CASP2, CASP5 CYP2D6 4320/4885KDM4E 3222/4885ALDH1A1 3238/4885
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP CYP2D6 4245/4885KDM4E 2938/4885ALDH1A1 4170/4885
US-11434212-B2 Bicyclic compound as a caspase inhibitor CASP1, CASP14, CASP2 CYP2D6 2330/4885KDM4E 2705/4885ALDH1A1 3348/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 CYP2D6 4271/4885KDM4E 2999/4885ALDH1A1 4157/4885
US-20210332019-A1 Bicyclic Compound as a Caspase Inhibitor CASP1, CASP14, CASP2 CYP2D6 2330/4885KDM4E 2705/4885ALDH1A1 3348/4885

“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.