SCHEMBL2157993

SCHEMBL2157993

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)NCc1cc2ccccc2oc1=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 16/20 0.57
▸ CASP7 P55210 11/20 0.57
▸ CASP1 P29466 7/20 0.57
▸ CASP9 P55211 7/20 0.57
▸ PTGER4 P35408 3/20 0.51
▸ CASP4 P49662 3/20 0.46
▸ CASP10 Q92851 3/20 0.45
▸ CASP8 Q14790 2/20 0.45
▸ CASP5 P51878 1/20 0.45
▸ CASP6 P55212 1/20 0.45

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
SCHEMBL3370165 0.90 CASP3 (0.46) CASP3CASP7CASP1CASP9PTGER4
SCHEMBL14968961 0.89 PTGER4 (0.51) PTGER4
SCHEMBL2168561 0.88 CASP3 (0.41) CASP3CASP7CASP1CASP9PTGER4
SCHEMBL4321426 0.87 BACE1 (0.44) CASP3CASP7CASP1CASP9PTGER4
SCHEMBL29362585 0.80 CASP3 (0.76) CASP3CASP7CASP1CASP9CASP4
SCHEMBL17326941 0.80 CASP3 (0.72) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7358758 0.79 PTGER4 (0.58) PTGER4
SCHEMBL4413420 0.79 PTGER4 (0.58) PTGER4
SCHEMBL6024083 0.79 MAGI3 (0.42) PTGER4
SCHEMBL20239336 0.79 CASP3 (0.71) CASP3CASP7CASP1CASP9CASP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 — — US disclosed
US-20090098577-A1 METHOD OF IDENTIFYING COMPOUNDS THAT MODULATE CASPASE 9 ACTIVITY VIA USE OF A KOSMOTROPIC SALT WYETH (US) 2009-04-16 — — US disclosed
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2009-02-12 — — US disclosed
US-7452683-B2 Identifying enzyme modulators for treating neurodegenerative, autoimmune and tumor diseases WYETH (US) 2008-11-18 — — US disclosed
EP-1951278-A2 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE The Burnham Institute (US) 2008-08-06 — — EP disclosed
EP-1865977-A2 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE The Burnham Institute for Medical Research (US) 2007-12-19 — — EP disclosed
US-20070271634-A1 Preventing stress-induced apoptosis in plants DICKMAN MARTIN B 2007-11-22 — — US disclosed
US-7217688-B2 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2007-05-15 — — US disclosed
WO-2007047551-A2 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2007-04-26 — — WO disclosed
US-20070003535-A1 Methods and compositions for derepression of IAP-inhibited caspase NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-01-04 — — US disclosed
EP-1161556-A2 METHODS FOR DETECTING MEMBRANE DERIVED CASPASE ACTIVITY AND MODULATORS THEREOF Idun Pharmaceuticals, Inc. (US) 2001-12-12 — — EP disclosed
US-20010016345-A1 Apoptotic protease Mch6, nucleic acids encoding same and methods of use ALNEMRI EMAD S (US) 2001-08-23 — — US disclosed
US-6274318-B1 DETECTING MODULATORS OF ENZYME ACTIVITY; INCUBATE ENZYMATIC SAMPLE AND INHIBITOR, DETECT REDUCE ACTIVITY FROM ENZYME THOMAS JEFFERSON UNIVERSITY 2001-08-14 — — US disclosed
US-6270980-B1 DETECTING MODULATORS OF CELL KILLING ACTIVITY; INCUBATE CELLS AND DIAGNOSTIC REAGENT, MONITOR INDUCED KILLING ACTIVITY IN CELLS IDUN PHARMACEUTICALS, INC. 2001-08-07 — — US disclosed
US-20010006779-A1 APOPTOTIC PROTEASE MCH6, NUCLEIC ACIDS ENCODING SAME AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH, THE 2001-07-05 — — US disclosed
US-6251614-B1 DETECTING MODULATORS OF APOPTOSIS; INCUBATE CELLS WITH MODULATORS AND MEASURE APOPTOTIC ACTIVITY IN CELLS IDUN PHARMACEUTICALS, INC. 2001-06-26 — — US disclosed
WO-2000052194-A2 METHODS FOR DETECTING MEMBRANE DERIVED CASPASE ACTIVITY AND MODULATORS THEREOF IDUN PHARMACEUTICALS, INC. (US) 2000-09-08 — — WO disclosed
WO-2000026391-A2 TRANS-SPECIES TRANSFER OF APOPTOTIC GENES AND TRANSGENIC PLANTS DEVELOPED THEREBY UNIVERSITY OF NEBRASKA-LINCOLN (US) 2000-05-11 — — WO disclosed
EP-0988545-A1 RAPID METHODS FOR IDENTIFYING MODIFIERS OF CELLULAR APOPTOSIS ACTIVITY Idun Pharmaceuticals, Inc. (US) 2000-03-29 — — EP disclosed
WO-1998055863-A1 RAPID METHODS FOR IDENTIFYING MODIFIERS OF CELLULAR APOPTOSIS ACTIVITY IDUN PHARMACEUTICALS, INC. (US) 1998-12-10 — — 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-20070003535-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 CASP3 12/4885CASP7 11/4885CASP1 10/4885
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 CASP3 12/4885CASP7 11/4885CASP1 10/4885

“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.

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