SCHEMBL5670189

SCHEMBL5670189

N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.55
SLC15A1 P46059 1/20 0.51
CASP1 P29466 2/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
LTA4H P09960 3/20 0.49
CTSB P07858 2/20 0.47
CAPN1 P07384 2/20 0.45
CASP3 P42574 1/20 0.45
CTSL P07711 1/20 0.44
IL1B P01584 1/20 0.44

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
SCHEMBL20204693 0.90 CTSC (0.58) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL20204691 0.90 CTSC (0.58) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL3497501 0.89 CTSB (0.53) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL19365037 0.89 CTSB (0.53) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL15295147 0.87 CTSC (0.56) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL23463561 0.83 CTSB (0.58) CTSCALPIPKMPTGS1XIAP
SCHEMBL14391828 0.83 CTSB (0.54) CTSCSLC7A5CTSBCAPN1
SCHEMBL19166213 0.83 CTSB (0.54) CTSCSLC7A5CTSBCAPN1
SCHEMBL15883283 0.82 CTSC (0.47) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL4318867 0.81 CTSC (0.50) CTSCSLC15A1ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-6693096-B2 SUPPRESSING PROTEASE ACTIVITY IDUN PHARMACEUTICALS, INC. 2004-02-17 US disclosed
US-20030186842-A1 Contacting a cell population with an inhibiting effective amount of a reagent that suppresses the protease activity of at least one member of the interleukin-1beta- converting enzyme (ICE)/CED-3 family IDUN PHARMACEUTICALS, INC. (US) 2003-10-02 US disclosed
US-6610683-B2 Programmed cell death; expansion of hematopoietic cells, for prolonging viability of an organ for transplantation, and maintaining viability of cell lines used in bioproduction IDUN PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-20030119748-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2003-06-26 US disclosed
WO-2003032918-A2 TREATMENT OF INFECTIOUS DISEASE USING INTERLEUKIN-1 BETA CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS, INC. (US) 2003-04-24 WO disclosed
US-6531467-B2 Inhibition of inflammation using interleukin-1β-converting enzyme (ICE)/CED-3 family inhibitors IDUN PHARMACEUTICALS, INC. 2003-03-11 US disclosed
US-20020025935-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-1159291-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-12-05 EP disclosed
US-20010044415-A1 Inhibition of apoptosis using interleukin-1B-converting enzyme (ICE)/CED-3 family inhibitors FRITZ LAWRENCE C (US) 2001-11-22 US disclosed
EP-0929311-A4 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS INC (US) 2001-08-29 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-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
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-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 (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-20030186842-A1 Contacting a cell population with an inhibiting effective amount of a reagent that suppresses the protease activity of at least one member of the interleukin-1beta- converting enzyme (ICE)/CED-3 family CASP1, SERPINB1, IL1B CTSC 43/4885SLC15A1 3268/4885CASP1 1/4885
US-20020025935-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, CASP1, IAPP CTSC 29/4885SLC15A1 1918/4885CASP1 2/4885
US-20030119748-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases CASP3, CASP1, IAPP CTSC 26/4885SLC15A1 1922/4885CASP1 2/4885
US-20040058850-A1 Using caspase inhibitor; antiinflammatory agents CASP1, PYCARD, CASP3 CTSC 35/4885SLC15A1 3792/4885CASP1 1/4885
US-20010044415-A1 Inhibition of apoptosis using interleukin-1B-converting enzyme (ICE)/CED-3 family inhibitors CASP1, IL1B, APAF1 CTSC 108/4885SLC15A1 3393/4885CASP1 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.