SCHEMBL207902

SCHEMBL207902

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.40
GLS O94925 1/20 0.38
AKT1 P31749 3/20 0.37
PTGES O14684 1/20 0.37
CTSS P25774 4/20 0.36
CTSB P07858 3/20 0.36
CTSL P07711 2/20 0.36
NQO2 P16083 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
IDO1 P14902 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CTSK P43235 2/20 0.33

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
SCHEMBL207899 0.89 LCK (0.32) GLSAKT1PTGESCTSSCTSB
SCHEMBL6627245 0.86 MTNR1B (0.41) MTNR1BAKT1CTSSCTSBCTSL
SCHEMBL208844 0.85 HDAC1 (0.36) GLSAKT1PTGESCTSSCTSB
SCHEMBL29850324 0.84 NQO2 (0.43) MTNR1BGLSPTGESNQO2
SCHEMBL29597551 0.83 AKT1 (0.39) AKT1CTSSCTSBCTSLCA12
SCHEMBL206549 0.82 PTGES (0.40) GLSAKT1PTGESCTSSCTSB
SCHEMBL6366961 0.82 MAPT (0.36) AKT1PTGESNQO2PPARGPPARA
SCHEMBL29850447 0.80 PTGES (0.36) GLSPTGESCTSSNQO2CTSK
SCHEMBL206992 0.80 PTGES (0.41) GLSAKT1PTGESCTSSCTSB
SCHEMBL6701851 0.79 MAPT (0.49)

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 4 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
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 1738/4885GLS 245/4885AKT1 284/4885
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GSKIP MTNR1B 3680/4885GLS 935/4885AKT1 55/4885

“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.