SCHEMBL8990796

SCHEMBL8990796

C=CC[C@H](NC(C)C)C(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31

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
SCHEMBL13841485 1.00 TSHR (0.32) TSHRMMP1MMP2MMP3MMP7
SCHEMBL8990731 0.80 GRIK1 (0.32)
SCHEMBL13841487 0.80 GRIK1 (0.32)
SCHEMBL12088713 0.79
SCHEMBL23513612 0.79 ALDH1A1 (0.37) TSHR
SCHEMBL19483464 0.77 TSHR (0.34) TSHR
SCHEMBL19004024 0.77 TSHR (0.34) TSHR
SCHEMBL18594672 0.76 TGFBR1 (0.32)
SCHEMBL13132249 0.75 ALDH1A1 (0.36) MMP1MMP2MMP3MMP7
SCHEMBL12231646 0.75 ALDH1A1 (0.36) MMP1MMP2MMP3MMP7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 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-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-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 (6 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 TSHR 4846/4885MMP1 3922/4885MMP2 3426/4885
US-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, CDCA2 TSHR 4703/4885MMP1 3509/4885MMP2 3624/4885
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS OTC, NBAS, IDH2 TSHR 4846/4885MMP1 3922/4885MMP2 3426/4885
US-20100022749-A1 Contoxin Analogues and Methods for Synthesizing Same VIP, CANX, PDIA5 TSHR 2036/4885MMP1 2781/4885MMP2 1286/4885
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds DCLRE1A, RNF168, MTCL3 TSHR 4635/4885MMP1 3746/4885MMP2 3794/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA TSHR 2645/4885MMP1 3476/4885MMP2 2132/4885

“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.