SCHEMBL206994

SCHEMBL206994

CC(C)(C)OC(=O)N=C(NCCc1cccc(CO)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
NQO2 P16083 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CTSK P43235 3/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NAMPT P43490 1/20 0.37
GLS O94925 2/20 0.37
SPR P35270 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL206551 0.88 GLS (0.44) CA2CA1CTSKCYP3A4GLS
SCHEMBL9985225 0.84 NQO2 (0.52) CA2CA1NQO2KDM4ECTSK
SCHEMBL207888 0.84 CA2 (0.37) CA2CA1NQO2KDM4ECTSK
SCHEMBL207904 0.83 PDK1 (0.47) CA2CA1CYP3A4CYP2C19TRPV1
SCHEMBL12401895 0.82 CA2 (0.53) CA2CA1CTSKNAMPT
SCHEMBL18401365 0.81 CA2 (0.50) CA2CA1CTSKNAMPT
SCHEMBL15684582 0.81 CA2 (0.49) CA2CA1POLBNAMPT
SCHEMBL8381013 0.81 CA2 (0.49) CA2CA1NQO2KDM4ECTSK
SCHEMBL21089804 0.81 NQO2 (0.49) CA2CA1NQO2KDM4ECTSK
SCHEMBL13862492 0.79 MTNR1A (0.38) CA2CA1CTSKMTNR1AMTNR1B

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-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-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
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 CA2 4242/4885CA1 4070/4885NQO2 2619/4885
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GSKIP CA2 3292/4885CA1 3303/4885NQO2 1529/4885

“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.