SCHEMBL4430771

SCHEMBL4430771

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.59
ECE1 P42892 1/20 0.59
CTSK P43235 3/20 0.59
CASP1 P29466 8/20 0.55
CAPN1 P07384 1/20 0.53
CASP3 P42574 1/20 0.52
PSMB8 P28062 1/20 0.52
PSMB9 P28065 1/20 0.52
PSMB5 P28074 1/20 0.52

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
SCHEMBL14433707 1.00 MME (0.59) MMEECE1CTSKCASP1CAPN1
SCHEMBL7155003 1.00 MME (0.59) MMEECE1CTSKCASP1CAPN1
SCHEMBL29453232 0.99 MME (0.58) MMEECE1CTSKCASP1CAPN1
SCHEMBL10868042 0.91 CAPN1 (0.58) MMEECE1CTSKCASP1CAPN1
SCHEMBL30902886 0.91 CTSK (0.58) MMEECE1CTSKCASP1CAPN1
SCHEMBL30902885 0.91 CTSK (0.58) MMEECE1CTSKCASP1CAPN1
SCHEMBL3140616 0.91 CASP3 (0.62) MMEECE1CTSKCASP1CASP3
SCHEMBL614741 0.91 CASP3 (0.62) MMEECE1CTSKCASP1CASP3
SCHEMBL28645697 0.90 CTSK (0.57) CTSKCASP1PSMB8PSMB9PSMB5
SCHEMBL28645693 0.90 MME (0.60) MMEECE1CTSKCAPN1PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371478-A Method for synthesizing amide and/or polypeptide by taking transient protection amino acid as ammonia component 广州医科大学 2025-01-28 CN disclosed
CN-119137136-A Dual-residue extension peptide and preparation method thereof 国立大学法人东海国立大学机构 2024-12-13 CN disclosed
US-11946079-B2 Method for producing a protein hydrolysate using an endopeptidase and a carboxypeptidase NOVOZYMES A/S (DK) 2024-04-02 US disclosed
US-20220127592-A1 POLYPEPTIDE, USE AND METHOD FOR HYDROLYSING PROTEIN NOVOZYMES A/S (DK) 2022-04-28 US 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-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
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 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 (5 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 MME 226/4885ECE1 648/4885CTSK 56/4885
US-20020028774-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP MME 269/4885ECE1 253/4885CTSK 692/4885
US-20170100448-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS CASP1, CASP2, CASP5 MME 225/4885ECE1 194/4885CTSK 110/4885
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP MME 269/4885ECE1 253/4885CTSK 692/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 MME 259/4885ECE1 234/4885CTSK 762/4885

“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.