SCHEMBL9892434

SCHEMBL9892434

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
TAS1R3 Q7RTX0 5/20 0.46
TAS1R1 Q7RTX1 5/20 0.46
CYP26A1 O43174 1/20 0.46
CTSL P07711 1/20 0.44
KMT2A Q03164 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL711824 1.00 GAA (0.50) GAARAB9AALDH1A1LMNAGLA
SCHEMBL711315 1.00 GAA (0.50) GAARAB9AALDH1A1LMNAGLA
SCHEMBL711316 1.00 GAA (0.50) GAARAB9AALDH1A1LMNAGLA
SCHEMBL17189632 0.96 GAA (0.47) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3485952 0.94 GAA (0.55) GAARAB9AALDH1A1LMNAGLA
SCHEMBL8226797 0.94 GAA (0.55) GAARAB9AALDH1A1LMNAGLA
SCHEMBL8234372 0.94 GAA (0.55) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3485955 0.94 GAA (0.55) GAARAB9AALDH1A1LMNAGLA
SCHEMBL12088621 0.89 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL8234364 0.89 GAA (0.51) GAARAB9AALDH1A1LMNAGLA

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 18 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-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-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-20090143565-A1 Methods for the Synthesis of Two or More Dicarba Bridges in Organic Compounds SYNGENE LIMITED (AU) 2009-06-04 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-2007093013-A1 METHODS FOR THE SYNTHESIS OF 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 (8 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 GAA 3062/4885RAB9A 3416/4885ALDH1A1 838/4885
US-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, CDCA2 GAA 4501/4885RAB9A 2781/4885ALDH1A1 2184/4885
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS OTC, NBAS, IDH2 GAA 3062/4885RAB9A 3416/4885ALDH1A1 838/4885
US-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES VIP, CANX, INHA GAA 3224/4885RAB9A 2409/4885ALDH1A1 4754/4885
US-20100022749-A1 Contoxin Analogues and Methods for Synthesizing Same VIP, CANX, PDIA5 GAA 2733/4885RAB9A 2642/4885ALDH1A1 4713/4885
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds DCLRE1A, RNF168, MTCL3 GAA 4527/4885RAB9A 3002/4885ALDH1A1 2484/4885
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 GAA 4527/4885RAB9A 3002/4885ALDH1A1 2484/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA GAA 3234/4885RAB9A 2984/4885ALDH1A1 4753/4885

“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.