SCHEMBL5670832

SCHEMBL5670832

CC(C)Cc1c(C(=O)N[C@H](C(=O)NC(CC(=O)O)C(=O)CF)C(C)C)n(C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.44
CASP8 Q14790 11/20 0.43
CASP6 P55212 6/20 0.43
CASP7 P55210 5/20 0.43
CASP9 P55211 1/20 0.43
CASP1 P29466 4/20 0.41

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
SCHEMBL7201731 0.92 CASP3 (0.43) CASP3CASP8CASP6CASP7CASP1
SCHEMBL5667954 0.89 CASP3 (0.47) CASP3CASP8CASP6CASP7CASP9
SCHEMBL29382429 0.89 CASP3 (0.47) CASP3CASP8CASP6CASP7CASP9
SCHEMBL5668068 0.89 CASP3 (0.47) CASP3CASP8CASP6CASP7CASP9
SCHEMBL26371958 0.89 CASP3 (0.47) CASP3CASP8CASP6CASP7CASP9
SCHEMBL5667112 0.87 CASP3 (0.47) CASP3CASP8CASP6CASP7CASP9
SCHEMBL27583485 0.86 CASP3 (0.53) CASP3CASP8CASP6CASP7
SCHEMBL7201348 0.86 CASP3 (0.53) CASP3CASP8CASP6CASP7
SCHEMBL7204052 0.86 CASP3 (0.52) CASP3CASP8CASP6
SCHEMBL7200864 0.85 CASP3 (0.60) CASP3CASP8CASP6CASP7

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 20 patents. 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
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
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-6528506-B2 Viability of organs transplants IDUN PHARMACEUTICALS, INC. 2003-03-04 US disclosed
US-20030039661-A1 Methods, compositions and kits for preserving antigenicity IDUN PHARMACEUTICALS, INC. 2003-02-27 US disclosed
EP-0920444-B1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS INC (US) 2002-12-18 EP disclosed
US-6489353-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; CENTRAL NERVOUS SYSTEM DISORDERS IDUN PHARMACEUTICALS, INC. 2002-12-03 US disclosed
US-20020147171-A1 Inhibition of apoptosis using interleukin-1beta converting enzyme (ICE)/CED-3 family inhibitors IDUN PHARMACEUTICALS, INC. (US) 2002-10-10 US disclosed
US-20020128306-A1 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. 2002-09-12 US disclosed
US-20020123522-A1 Inhibition of inflammation using interleukin-1beta-converting enzyme (ICE)/CED-3 family inhibitors IDUN PHARMACEUTICALS, INC. (US) 2002-09-05 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 CASP3 5/4885CASP8 82/4885CASP6 31/4885
US-20030039661-A1 Methods, compositions and kits for preserving antigenicity CASP1, CASP3, APAF1 CASP3 2/4885CASP8 7/4885CASP6 15/4885
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 CASP3 1/4885CASP8 60/4885CASP6 37/4885
US-20020123522-A1 Inhibition of inflammation using interleukin-1beta-converting enzyme (ICE)/CED-3 family inhibitors IL1B, CASP1, IL1A CASP3 22/4885CASP8 103/4885CASP6 53/4885
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 CASP3 1/4885CASP8 60/4885CASP6 37/4885
US-20020147171-A1 Inhibition of apoptosis using interleukin-1beta converting enzyme (ICE)/CED-3 family inhibitors CASP1, CASP3, APAF1 CASP3 2/4885CASP8 23/4885CASP6 6/4885
US-20010044415-A1 Inhibition of apoptosis using interleukin-1B-converting enzyme (ICE)/CED-3 family inhibitors CASP1, IL1B, APAF1 CASP3 4/4885CASP8 40/4885CASP6 6/4885
US-20020128306-A1 Programmed cell death; expansion of hematopoietic cells, for prolonging viability of an organ for transplantation, and maintaining viability of cell lines used in bioproduction CASP1, CASP3, MCL1 CASP3 2/4885CASP8 14/4885CASP6 7/4885

“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.