SCHEMBL253050

SCHEMBL253050

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
GRM2 Q14416 1/20 0.35
RIPK1 Q13546 3/20 0.33
GLS O94925 1/20 0.31
CETP P11597 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL206550 0.85 GRM2 (0.40) HDAC1HDAC3HDAC2NCOR2GRM2
SCHEMBL5834983 0.85 GRM2 (0.38) GRM2RIPK1GLSSLC7A5
SCHEMBL208845 0.84 HDAC3 (0.33) HDAC1HDAC3HDAC2NCOR2CETP
SCHEMBL1173723 0.83 CYP1A2 (0.38) HDAC1HDAC3HDAC2NCOR2GRM2
SCHEMBL21430918 0.83 GRM2 (0.38) HDAC1HDAC3HDAC2NCOR2GRM2
SCHEMBL16089566 0.83 CYP1A2 (0.38) HDAC1HDAC3HDAC2NCOR2GRM2
SCHEMBL16510178 0.83 CYP1A2 (0.38) HDAC1HDAC3HDAC2NCOR2GRM2
SCHEMBL7456824 0.82 RIPK1 (0.44) GRM2RIPK1L3MBTL1
SCHEMBL17894520 0.81 AKT1 (0.42) HDAC1HDAC3HDAC2NCOR2GRM2
SCHEMBL29466954 0.81 SLC7A5 (0.41) GRM2SLC7A5

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 9 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
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
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.