SCHEMBL1760427

SCHEMBL1760427

COC(=O)c1cccc(COc2ccc(-c3cc(F)c(F)cc3F)cc2)c1Br

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 15/20 0.50
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
MAOB P27338 1/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL1760214 0.92 GYS1 (0.52) GYS1PDCD1CD274SLC6A4SLC6A3
SCHEMBL1760222 0.91 GYS1 (0.48) GYS1PDCD1CD274MAOB
SCHEMBL1760107 0.91 GYS1 (0.55) GYS1
SCHEMBL12635201 0.83 PDCD1 (0.49) PDCD1CD274SLC6A3
SCHEMBL1760434 0.78 GYS1 (0.42) GYS1
SCHEMBL1756371 0.76 MRGPRX4 (0.65) GYS1
SCHEMBL1760329 0.76 PTGER4 (0.51) PDCD1CD274
SCHEMBL1760374 0.75 GYS1 (0.44) GYS1
SCHEMBL1760330 0.74 SLC6A3 (0.48) PDCD1CD274SLC6A4SLC6A3
SCHEMBL1760550 0.73 GYS1 (0.38) GYS1

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
WO-2011057993-A1 INDAZOLONE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
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 2/4885PDCD1 4519/4885CD274 4751/4885

“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.