SCHEMBL207888

SCHEMBL207888

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
NQO2 P16083 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SPR P35270 1/20 0.34
CTSK P43235 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL206994 0.84 CA2 (0.42) CA2CA1NQO2TRPV1KDM4E
SCHEMBL4846622 0.80 GLS (0.41) CA2CA1CTSKPOLBNR1H4
SCHEMBL2719298 0.78 NQO2 (0.43) CA2CA1NQO2KDM4ECYP3A4
SCHEMBL8381013 0.77 CA2 (0.49) CA2CA1NQO2KDM4ECTSK
SCHEMBL12401895 0.76 CA2 (0.53) CA2CA1CTSKNR1H2NR1H4
SCHEMBL208846 0.75 SIRT2 (0.38) CA2CA1NR1H4NPFFR1NPFFR2
SCHEMBL15684582 0.74 CA2 (0.49) CA2CA1POLBNPC1RAB9A
SCHEMBL207887 0.74 HDAC3 (0.31)
SCHEMBL26633557 0.74 FFAR1 (0.45) CA2CA1NPC1RAB9ASMN1; SMN2
SCHEMBL13862492 0.73 MTNR1A (0.38) CA2CA1CTSK

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 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.