SCHEMBL206551

SCHEMBL206551

CC(C)(C)OC(=O)N=C(NCc1cccc(CO)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40
BRD4 O60885 2/20 0.39
CREBBP Q92793 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CTSK P43235 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSL P07711 1/20 0.37
PTGES O14684 1/20 0.37
HDAC1 Q13547 1/20 0.36
GRM2 Q14416 1/20 0.36
GAA P10253 1/20 0.36
KDM4A O75164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 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
SCHEMBL206994 0.88 CA2 (0.42) GLSCA1CA2CTSKCTSB
SCHEMBL16099783 0.88 GLS (0.42) GLSCA1CA2BRD4CREBBP
SCHEMBL16089568 0.88 GLS (0.42) GLSCA1CA2BRD4CREBBP
SCHEMBL8384189 0.88 GLS (0.42) GLSCA1CA2BRD4CREBBP
SCHEMBL18805056 0.88 GLS (0.42) GLSCA1CA2BRD4CREBBP
SCHEMBL17902840 0.88 GLS (0.42) GLSCA1CA2BRD4CREBBP
SCHEMBL15125610 0.87 CTSB (0.47) GLSCA1CA2BRD4CREBBP
SCHEMBL19639379 0.87 GLS (0.41) GLSCA1CA2BRD4CREBBP
SCHEMBL17902822 0.86 CA1 (0.51) CA1CA2CA12CA7CA14
SCHEMBL19651943 0.86 CA1 (0.51) CA1CA2CA12CA7CA14

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 GLS 245/4885CA1 4070/4885CA2 4242/4885
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GSKIP GLS 935/4885CA1 3303/4885CA2 3292/4885

“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.