SCHEMBL208844

SCHEMBL208844

CC(C)(C)OC(=O)NC(=N)N(C(=O)OC(C)(C)C)c1cccc(COP(=O)(OCc2cccc(N(C(=N)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)OCc2cccc(N(C(=N)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NQO2 P16083 1/20 0.35
GLS O94925 1/20 0.35
PTGES O14684 1/20 0.34
AKT1 P31749 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
IDO1 P14902 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
BACE1 P56817 1/20 0.32
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31
SYK P43405 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 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
SCHEMBL207902 0.85 MTNR1B (0.40) NQO2GLSPTGESAKT1CA12
SCHEMBL4846611 0.84 PTGES (0.38) HDAC1HDAC3HDAC2NCOR2NQO2
SCHEMBL29850324 0.82 NQO2 (0.43) NQO2GLSPTGESSYK
SCHEMBL29597551 0.79 AKT1 (0.39) AKT1CA12CA1CA7CA14
SCHEMBL6366961 0.78 MAPT (0.36) HDAC1HDAC3HDAC2NQO2PTGES
SCHEMBL207886 0.77 PTGES (0.36) HDAC1HDAC3HDAC2NCOR2NQO2
SCHEMBL207899 0.77 LCK (0.32) NQO2GLSPTGESAKT1CA12
SCHEMBL29850447 0.76 PTGES (0.36) NQO2GLSPTGESCTSS
SCHEMBL17894519 0.75 MIF (0.42) NQO2AKT1CTSS
SCHEMBL6701851 0.75 MAPT (0.49) L3MBTL1

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 7 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-1638557-A4 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS UNIV TEL AVIV FUTURE TECH DEV (IL) 2007-11-07 EP 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
EP-1638557-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2006-03-29 EP disclosed
WO-2005000192-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2005-01-06 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 (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 HDAC1 1184/4885HDAC3 212/4885HDAC2 2025/4885
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GSKIP HDAC1 1470/4885HDAC3 582/4885HDAC2 1693/4885

“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.