SCHEMBL4425146

SCHEMBL4425146

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
CAPN1 P07384 2/20 0.42
CASP1 P29466 8/20 0.40
CACNA2D1 P54289 2/20 0.40
CACNB3 P54284 1/20 0.40
CACNA1C Q13936 1/20 0.40
PGR P06401 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
CACNA2D2 Q9NY47 1/20 0.40
LARS1 Q9P2J5 1/20 0.39
CASP3 P42574 1/20 0.39
MME P08473 2/20 0.39
CTSB P07858 1/20 0.38
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL17347917 0.90 CAPN1 (0.48) SLC7A5CAPN1CASP1CACNA2D1CACNB3
SCHEMBL16565969 0.86 CAPN1 (0.46) SLC7A5CAPN1LARS1CTSB
SCHEMBL9572309 0.86 CAPN1 (0.46) SLC7A5CAPN1LARS1CTSB
SCHEMBL2475740 0.86 CAPN1 (0.46) SLC7A5CAPN1LARS1CTSB
SCHEMBL3487246 0.86 CAPN1 (0.46) SLC7A5CAPN1LARS1CTSB
SCHEMBL8817388 0.86 CAPN1 (0.46) SLC7A5CAPN1LARS1CTSB
SCHEMBL8270222 0.83 SLC7A5 (0.42) SLC7A5CAPN1LARS1CTSBDPP4
SCHEMBL5668501 0.83 PAX8 (0.46) CASP1CASP3DPP4
SCHEMBL25583190 0.83 PAX8 (0.46) CASP1CASP3DPP4
SCHEMBL24616832 0.81 CASP3 (0.38) CASP1CASP3

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 42 patents — showing the first 20. 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
EP-1647279-A2 Inhibition of apoptosis using interleukin-1beta-converting enzyme (ICE)/CED-3 family inhibitors Idun Pharmaceuticals, Inc. (US) 2006-04-19 EP disclosed
EP-0929311-B8 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS INC (US) 2006-02-01 EP 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-1443935-A2 TREATMENT OF INFECTIOUS DISEASE USING INTERLEUKIN-1 BETA CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS Idun Pharmaceuticals, Inc. (US) 2004-08-11 EP disclosed
US-20040058850-A1 Using caspase inhibitor; antiinflammatory agents IDUN PHARMACEUTICALS, INC. 2004-03-25 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-6200969-B1 CONTACTING CELLS WITH REAGENT WHICH SUPPRESSES PROTEASE ACTIVITY OF INTERLEUKIN-1.BETA.-CONVERTING ENZYME (ICE)/CED-3 FAMILY, INHIBITING APOPTOSIS IN CELL POPULATION TO EXPANDING OR INCREASING SURVIVAL OF CELL POPULATION IDUN PHARMACEUTICALS, INC. 2001-03-13 US disclosed
US-6197750-B1 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS IDUN PHARMACEUTICALS, INC. 2001-03-06 US disclosed
US-6184244-B1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2001-02-06 US disclosed
WO-2001000658-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2001-01-04 WO 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
EP-0929311-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS Idun Pharmaceuticals, Inc. (US) 1999-07-21 EP disclosed
US-5877197-A C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 1999-03-02 US disclosed
US-5869519-A USE OF SUCH COMPOSITIONS IN THE TREATMENT OF PATIENTS SUFFERING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES, FOR THE PREVENTION OF ISCHEMIC INJURY, AND FOR THE PRESERVATION OF ORGANS THAT ARE TO UNDERGO A TRANSPLANTATION IDUN PHARMACEUTICALS, INC. (US) 1999-02-09 US disclosed
WO-1998010778-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1β-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS, INC. (US) 1998-03-19 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 (2 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-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP SLC7A5 2160/4885CAPN1 164/4885CASP1 4/4885
US-20040058850-A1 Using caspase inhibitor; antiinflammatory agents CASP1, PYCARD, CASP3 SLC7A5 4667/4885CAPN1 103/4885CASP1 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.