SCHEMBL4264976

SCHEMBL4264976

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCc1cc2ccccc2oc1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.55
▸ BACE1 P56817 2/20 0.46
▸ BACE2 Q9Y5Z0 2/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CCKAR P32238 2/20 0.45
▸ CCKBR P32239 2/20 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
SCHEMBL2157759 0.97 OPRD1 (0.52) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL3366840 0.92 CASP1 (0.51) OPRD1BACE1BACE2
SCHEMBL2332848 0.84 OPRM1 (0.47) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL5614017 0.83 MAOB (0.41) BACE1
SCHEMBL3370165 0.83 CASP3 (0.46) —
SCHEMBL4321426 0.83 BACE1 (0.44) BACE1BACE2
SCHEMBL6570634 0.80 OPRD1 (0.57) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL2168561 0.80 CASP3 (0.41) BACE1BACE2
SCHEMBL2383875 0.79 MEN1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL29408005 0.78 OPRD1 (0.68) OPRD1BACE1BACE2OPRM1OPRK1

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
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
US-7217688-B2 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2007-05-15 — — US disclosed
US-20070003535-A1 Methods and compositions for derepression of IAP-inhibited caspase NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-01-04 — — US disclosed
US-20060258581-A1 Methods and composition for derepressions of IAP-inhibited caspase NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-11-16 — — US disclosed
US-7118877-B2 Identifying enzyme modulators for treating neurodegenerative, autoimmune and tumor diseases WYETH (US) 2006-10-10 — — US disclosed
US-20060211627-A1 Methods and compositions for derepression of IAP-inhibited caspase NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-09-21 — — US disclosed
US-20060211078-A1 Identifying enzyme modulators for treating neurodegenerative, autoimmune and tumor diseases WYETH (US) 2006-09-21 — — US disclosed
EP-1531852-A4 CASPASE 9 ACTIVATION AND USES THEREFOR WYETH CORP (US) 2006-04-05 — — EP disclosed
US-20020183504-A1 Antibodies to Mch6 polypeptides THOMAS JEFFERSON UNIVERSITY (US) 2002-12-05 — — US disclosed
US-6455296-B2 ISOLATED GENE CODING POLYPEPTIDE THOMAS JEFFERSON UNIVERSITY 2002-09-24 — — US disclosed
EP-1161546-A2 TRANS-SPECIES TRANSFER OF APOPTOTIC GENES AND TRANSGENIC PLANTS DEVELOPED THEREBY University of Nebraska-Lincoln (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-6271361-B1 NUCLEOTIDE SEQUENCES CODING AN ENZYMATIC POLYPEPTIDE; FOR THE TREATMENT OF AUTOIMMUNE AND VIRAL DISEASES, TUMORS AND NERVOUS SYSTEM DISORDERS THOMAS JEFFERSON UNIVERSITY 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
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-0765388-A1 CRYSTAL STRUCTURE AND MUTANTS OF INTERLEUKIN-1BETA(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-04-02 — — EP disclosed
WO-1995035367-A1 CRYSTAL STRUCTURE AND MUTANTS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 — — 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 (4 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-20060258581-A1 Methods and composition for derepressions of IAP-inhibited caspase API5, CASP5, CASP7 OPRD1 4056/4885BACE1 171/4885BACE2 222/4885
US-20060211627-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 OPRD1 4625/4885BACE1 446/4885BACE2 257/4885
US-20070003535-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 OPRD1 4625/4885BACE1 446/4885BACE2 257/4885
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 OPRD1 4625/4885BACE1 446/4885BACE2 257/4885

“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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