SCHEMBL5669685

SCHEMBL5669685

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.35
CASP1 P29466 1/20 0.34
CNR1 P21554 6/20 0.34
CNR2 P34972 4/20 0.34
PTGER4 P35408 4/20 0.34
OXER1 Q8TDS5 1/20 0.33
EGFR P00533 1/20 0.32
SRC P12931 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
SCHEMBL6740038 0.92 KDM4E (0.38) KDM4EL3MBTL1TSHRPTGDR2CASP1
SCHEMBL7619903 0.89 KDM4E (0.39) KDM4EL3MBTL1TSHRPTGDR2CASP1
SCHEMBL7390761 0.84 KDM4E (0.42) KDM4EL3MBTL1TSHRPTGDR2CASP1
SCHEMBL5667861 0.84 KDM4E (0.42) KDM4EL3MBTL1TSHRPTGDR2CASP1
SCHEMBL5668081 0.84 KDM4E (0.36) KDM4EL3MBTL1TSHRPTGDR2CASP1
SCHEMBL5669547 0.83 CASP3 (0.37) KDM4EL3MBTL1TSHRPTGDR2CNR1
SCHEMBL7387895 0.83 PTGDR2 (0.36) KDM4EL3MBTL1TSHRPTGDR2CASP1
SCHEMBL5669918 0.80 HTT (0.37) TSHRPTGDR2CASP1CNR2PTGER4
SCHEMBL7777101 0.79 KDM4E (0.42) KDM4EL3MBTL1TSHRPTGDR2CASP1
SCHEMBL5667847 0.78 CASP3 (0.40) KDM4EPTGDR2PTGER4

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 17 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-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
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
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 (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-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 KDM4E 3522/4885L3MBTL1 1886/4885TSHR 4859/4885
US-20030039661-A1 Methods, compositions and kits for preserving antigenicity CASP1, CASP3, APAF1 KDM4E 2493/4885L3MBTL1 2163/4885TSHR 4829/4885
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 KDM4E 2905/4885L3MBTL1 1571/4885TSHR 4651/4885
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 KDM4E 2929/4885L3MBTL1 1540/4885TSHR 4644/4885
US-20020147171-A1 Inhibition of apoptosis using interleukin-1beta converting enzyme (ICE)/CED-3 family inhibitors CASP1, CASP3, APAF1 KDM4E 2390/4885L3MBTL1 1173/4885TSHR 4875/4885
US-20010044415-A1 Inhibition of apoptosis using interleukin-1B-converting enzyme (ICE)/CED-3 family inhibitors CASP1, IL1B, APAF1 KDM4E 2434/4885L3MBTL1 1160/4885TSHR 4869/4885
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 KDM4E 2711/4885L3MBTL1 279/4885TSHR 4835/4885

“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.