SCHEMBL8227090

SCHEMBL8227090

C/C=C/C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.55
▸ MDM4 O15151 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ TLR2 O60603 2/20 0.50
▸ TNF P01375 2/20 0.50
▸ MDM2 Q00987 3/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL8234371 1.00 CASP3 (0.55) CASP3MDM4TP53TLR2TNF
SCHEMBL16744152 1.00 CASP3 (0.55) CASP3MDM4TP53TLR2TNF
SCHEMBL8654704 0.93 MDM4 (0.59) CASP3MDM4TP53MDM2KMT2A
SCHEMBL8653790 0.93 MDM4 (0.59) CASP3MDM4TP53MDM2KMT2A
SCHEMBL9186701 0.93 MDM4 (0.59) CASP3MDM4TP53MDM2KMT2A
SCHEMBL8653785 0.93 MDM4 (0.59) CASP3MDM4TP53MDM2KMT2A
SCHEMBL16744159 0.90 CASP3 (0.54) CASP3MDM4TP53TLR2TNF
SCHEMBL30851395 0.89 CASP3 (0.53) CASP3MDM4TP53TLR2MDM2
SCHEMBL16744153 0.88 CASP3 (0.53) CASP3MDM4TP53TLR2TNF
SCHEMBL2308310 0.87 MDM4 (0.54) CASP3MDM4TP53MDM2KMT2A

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
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 — — US disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 — — US disclosed
US-8759480-B2 Contoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2014-06-24 — — US disclosed
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-05-16 — — US disclosed
US-8362204-B2 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2013-01-29 — — US disclosed
US-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-01-24 — — US disclosed
US-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES POLYCHIP PHARMACEUTICALS PTY LTD. (AU) 2012-06-07 — — US disclosed
US-8188217-B2 — — 2012-05-29 — — US disclosed
US-8124726-B2 Contoxin analogues and methods for synthesizing same MONASH UNIVERSITY (AU) 2012-02-28 — — US disclosed
US-7745573-B2 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides POLYCHIP PHARMACEUTICALS PTY LTD. (AU) 2010-06-29 — — US disclosed
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds MONASH UNIVERSITY (AU) 2010-02-11 — — US disclosed
US-20100022749-A1 Contoxin Analogues and Methods for Synthesizing Same MONASH UNIVERSITY (AU) 2010-01-28 — — US disclosed
US-20090143565-A1 Methods for the Synthesis of Two or More Dicarba Bridges in Organic Compounds SYNGENE LIMITED (AU) 2009-06-04 — — US disclosed
US-7538190-B2 Methods for the synthesis of two or more dicarba bridges in organic compounds POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2009-05-26 — — US disclosed
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 — — WO disclosed
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2007-08-23 — — US disclosed
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2007-08-23 — — 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 (9 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-20090143565-A1 Methods for the Synthesis of Two or More Dicarba Bridges in Organic Compounds OTC, NBAS, IDH2 CASP3 891/4885MDM4 129/4885TP53 349/4885
US-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, CDCA2 CASP3 281/4885MDM4 63/4885TP53 673/4885
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS OTC, NBAS, IDH2 CASP3 891/4885MDM4 129/4885TP53 349/4885
US-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES VIP, CANX, INHA CASP3 753/4885MDM4 4597/4885TP53 2482/4885
US-20100022749-A1 Contoxin Analogues and Methods for Synthesizing Same VIP, CANX, PDIA5 CASP3 821/4885MDM4 4748/4885TP53 2748/4885
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds DCLRE1A, RNF168, MTCL3 CASP3 260/4885MDM4 59/4885TP53 647/4885
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 CASP3 260/4885MDM4 59/4885TP53 647/4885
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds OTC, NBAS, IDH2 CASP3 891/4885MDM4 129/4885TP53 349/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA CASP3 1329/4885MDM4 4381/4885TP53 2348/4885

“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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