SCHEMBL1879566

SCHEMBL1879566

COC(=O)c1cccc(COc2ccc(-c3cc(F)c(F)cc3F)cc2)c1NN(CC1COC(C)(C)O1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 14/20 0.36
RXRA P19793 3/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
DGAT1 O75907 1/20 0.32
MAPK14 Q16539 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
SCHEMBL1883248 1.00 GYS1 (0.36) GYS1RXRANR1H2NR1H3FPR2
SCHEMBL1879564 1.00 GYS1 (0.36) GYS1RXRANR1H2NR1H3FPR2
SCHEMBL1876952 0.95 GYS1 (0.37) GYS1RXRANR1H2NR1H3FPR2
SCHEMBL1876954 0.95 GYS1 (0.37) GYS1RXRANR1H2NR1H3FPR2
SCHEMBL1881813 0.95 GYS1 (0.37) GYS1RXRANR1H2NR1H3FPR2
SCHEMBL1882538 0.94 GYS1 (0.40) GYS1
SCHEMBL1882540 0.94 GYS1 (0.40) GYS1
SCHEMBL1883521 0.94 GYS1 (0.40) GYS1
SCHEMBL12635220 0.89 NR1H2 (0.37) RXRANR1H2NR1H3DGAT1
SCHEMBL1760374 0.82 GYS1 (0.44) GYS1RXRANR1H2NR1H3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 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 (1 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-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL GYS1 2/4885RXRA 2824/4885NR1H2 252/4885

“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.