SCHEMBL714905

SCHEMBL714905

CCC[C@H](NC(=O)c1ccccc1)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.60
TAS1R1 Q7RTX1 8/20 0.60
RAB9A P51151 2/20 0.56
GAA P10253 2/20 0.56
NPC1 O15118 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PRSS1 P07477 1/20 0.55
CTSG P08311 1/20 0.55
CTRB1 P17538 1/20 0.55
CMA1 P23946 1/20 0.55
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CCR1 P32246 2/20 0.51
CYP26A1 O43174 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
SCHEMBL712639 1.00 TAS1R3 (0.60) TAS1R3TAS1R1RAB9AGAANPC1
SCHEMBL8235468 0.89 CA1 (0.56) TAS1R3TAS1R1RAB9AGAAL3MBTL1
SCHEMBL3679721 0.87 RAB9A (0.59) TAS1R3TAS1R1RAB9AGAANPC1
SCHEMBL8234956 0.86 TAS1R3 (0.52) TAS1R3TAS1R1RAB9AGAANPC1
SCHEMBL16359991 0.86 TAS1R3 (0.52) TAS1R3TAS1R1RAB9AGAANPC1
SCHEMBL21362725 0.86 GAA (0.52) TAS1R3TAS1R1RAB9AGAAL3MBTL1
SCHEMBL29384328 0.86 TAS1R3 (0.62) TAS1R3TAS1R1RAB9AGAANPC1
SCHEMBL12158277 0.86 LMNA (0.61) RAB9AGAAL3MBTL1LMNATDP1
SCHEMBL2328548 0.85 CA1 (0.51) TAS1R3TAS1R1RAB9AGAANPC1
SCHEMBL27556148 0.85 PRSS1 (0.56) TAS1R3TAS1R1RAB9ANPC1PRSS1

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
EP-1984386-B1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LTD (AU) 2013-10-09 EP disclosed
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 WO 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
WO-2007093013-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO 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
WO-2007093014-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE 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

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 4547/4885RAB9A 3002/4885
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds OTC, NBAS, IDH2 TAS1R3 4529/4885TAS1R1 4742/4885RAB9A 3416/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA TAS1R3 2684/4885TAS1R1 3087/4885RAB9A 2984/4885

“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.