SCHEMBL1759435

SCHEMBL1759435

COc1cc(F)c(F)cc1-c1ccc(OCc2ccc3onc(N(CC4CCOCC4)C(=O)OC(C)(C)C)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 19/20 0.42
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL1760441 0.96 GYS1 (0.44) GYS1
SCHEMBL1759495 0.88 GYS1 (0.49) GYS1
SCHEMBL1759470 0.86 GYS1 (0.46) GYS1
SCHEMBL1759729 0.85 GYS1 (0.49) GYS1
SCHEMBL1759491 0.85 GYS1 (0.50) GYS1NPC1GAARAB9AKMT2A
SCHEMBL1759439 0.84 GYS1 (0.45) GYS1
SCHEMBL1759368 0.83 GYS1 (0.44) GYS1NPC1GAARAB9AKMT2A
SCHEMBL1759531 0.80 GYS1 (0.52) GYS1
SCHEMBL1759445 0.78 GYS1 (0.46) GYS1
SCHEMBL1759554 0.77 GYS1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011057956-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112158-A1 BENZISOXAZOLE 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-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL GYS1 2/4885NPC1 2403/4885GAA 10/4885

“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.