SCHEMBL711890

SCHEMBL711890

CCC[C@@H](NC(C)=O)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.46
TAS1R1 Q7RTX1 6/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HDAC2 Q92769 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37

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
SCHEMBL3241409 1.00 TAS1R3 (0.46) TAS1R3TAS1R1CA1CA2KDM4E
SCHEMBL12064029 0.89 SMN1; SMN2 (0.45) TAS1R3TAS1R1CA1CA2KDM4E
SCHEMBL12064041 0.89 SMN1; SMN2 (0.45) TAS1R3TAS1R1CA1CA2KDM4E
SCHEMBL12064309 0.89 SMN1; SMN2 (0.45) TAS1R3TAS1R1CA1CA2KDM4E
SCHEMBL27883776 0.88 CA1 (0.53) TAS1R3TAS1R1CA1CA2ZDHHC7
SCHEMBL11128090 0.88 CA1 (0.53) TAS1R3TAS1R1CA1CA2ZDHHC7
SCHEMBL11042902 0.88 CA1 (0.53) TAS1R3TAS1R1CA1CA2ZDHHC7
SCHEMBL19085541 0.86 ZDHHC7 (0.53) TAS1R3TAS1R1CA1CA2ZDHHC7
SCHEMBL8232200 0.86 ZDHHC7 (0.53) TAS1R3TAS1R1CA1CA2ZDHHC7
SCHEMBL25961783 0.86 L3MBTL1 (0.51) KDM4EMAPTTHRBALOX15NFKB1

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 54 patents — showing the first 20. 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-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
EP-1984384-B1 Conotoxin analogues, and methods for synthesis of intramolecular dicarba bridge containing peptides SYNGENE LTD (AU) 2015-10-21 EP disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 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-8759480-B2 Contoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2014-06-24 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-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-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2007-08-23 US 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
WO-2007093013-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides 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
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2007-08-23 US disclosed
WO-2007093014-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 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 (3 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-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 TAS1R3 4221/4885TAS1R1 4547/4885CA1 368/4885
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds OTC, NBAS, IDH2 TAS1R3 4529/4885TAS1R1 4742/4885CA1 452/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA TAS1R3 2684/4885TAS1R1 3087/4885CA1 163/4885

“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.