SCHEMBL206550

SCHEMBL206550

CC(C)(C)OC(=O)N=C(N)N(Cc1cccc(CO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
GLS O94925 1/20 0.34
SLC7A5 Q01650 1/20 0.33
S1PR1 P21453 7/20 0.33
PTGES O14684 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
RIPK1 Q13546 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
AKT1 P31749 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL5834983 0.91 GRM2 (0.38) GRM2GLSSLC7A5PTGESRIPK1
SCHEMBL206993 0.89 ACHE (0.34) GRM2GLSSLC7A5PDK1PDK2
SCHEMBL1173723 0.88 CYP1A2 (0.38) GRM2GLSSLC7A5PTGESRIPK1
SCHEMBL21430918 0.88 GRM2 (0.38) GRM2GLSSLC7A5PTGESRIPK1
SCHEMBL16510178 0.88 CYP1A2 (0.38) GRM2GLSSLC7A5PTGESRIPK1
SCHEMBL16089566 0.88 CYP1A2 (0.38) GRM2GLSSLC7A5PTGESRIPK1
SCHEMBL7456824 0.87 RIPK1 (0.44) GRM2PTGESRIPK1
SCHEMBL17894520 0.87 AKT1 (0.42) GRM2RIPK1HTR2CSLC6A4HDAC3
SCHEMBL29466954 0.86 SLC7A5 (0.41) GRM2SLC7A5
SCHEMBL253050 0.85 HDAC1 (0.35) GRM2GLSSLC7A5RIPK1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088941-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2012-01-03 US disclosed
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-12-18 US disclosed
US-7378432-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-05-27 US disclosed
EP-1824468-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2007-08-29 EP disclosed
WO-2006054298-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2006-05-26 WO disclosed
US-20060069066-A1 3-(4-(3-guanidinophenyl)-1,2,3-triazol-1-yl)benzyl phosphoric acid hydrochloride; obesity, non-insulin dependent diabetes mellitus, insulin-dependent condition, affective disorder, neurodegenerative diseases, psychotic disease; compounds having hydrophobic moiety to a terminus of a peptide GSK-3 TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. 2006-03-30 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 (2 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-20060069066-A1 3-(4-(3-guanidinophenyl)-1,2,3-triazol-1-yl)benzyl phosphoric acid hydrochloride; obesity, non-insulin dependent diabetes mellitus, insulin-dependent condition, affective disorder, neurodegenerative diseases, psychotic disease; compounds having hydrophobic moiety to a terminus of a peptide GSK-3 GSK3A, GSK3B, PYGB GRM2 777/4885GLS 245/4885SLC7A5 2599/4885
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GSKIP GRM2 2871/4885GLS 935/4885SLC7A5 4372/4885

“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.