SCHEMBL207903

SCHEMBL207903

CC(C)(C)OC(=O)N=C(N)N(C(=O)OC(C)(C)C)c1cccc(CO)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.35
SLC7A5 Q01650 1/20 0.33
SIGMAR1 Q99720 8/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
BRD4 O60885 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
NR1H2 P55055 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
SCHEMBL207900 0.88 GRM2 (0.30)
SCHEMBL208845 0.85 HDAC3 (0.33) SLC7A5L3MBTL1
SCHEMBL6627245 0.85 MTNR1B (0.41) MTNR1BSLC7A5PDK1PDK2PDK3
SCHEMBL3785117 0.82 KMT2A (0.34) BRD4L3MBTL1
SCHEMBL15140038 0.82 F2 (0.35) SLC7A5PRSS1PRSS2PRSS3BRD4
SCHEMBL206550 0.81 GRM2 (0.40) SLC7A5PDK1PDK2PDK3PDK4
SCHEMBL7797012 0.81 UNG (0.32) BRD4
SCHEMBL3771902 0.80 PPARA (0.38) L3MBTL1
SCHEMBL206993 0.80 ACHE (0.34) SLC7A5PDK1PDK2PDK3PDK4
SCHEMBL6701854 0.80 MAPT (0.43) SIGMAR1PRSS1PRSS2PRSS3

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 MTNR1B 1738/4885SLC7A5 2599/4885SIGMAR1 807/4885
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GSKIP MTNR1B 3680/4885SLC7A5 4372/4885SIGMAR1 3099/4885

“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.