SCHEMBL19699544

SCHEMBL19699544

CC[C@@H](O)COc1nccc(NC(=O)C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.41
MAPT P10636 3/20 0.39
GSK3B P49841 3/20 0.39
ADORA3 P0DMS8 3/20 0.37
PRKD3 O94806 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK1 P28482 1/20 0.36
RIOK2 Q9BVS4 1/20 0.36
TYK2 P29597 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAP4K1 Q92918 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL19699465 1.00 MAPK8 (0.41) MAPK8MAPTGSK3BADORA3PRKD3
SCHEMBL19699575 0.90 MAPT (0.39) MAPK8MAPTGSK3BADORA3MAPK1
SCHEMBL19699578 0.90 MAPT (0.39) MAPK8MAPTGSK3BADORA3MAPK1
SCHEMBL20012077 0.81 MAPK8 (0.43) MAPK8MAPTGSK3BADORA3MAPK1
SCHEMBL19699605 0.80 MAPK8 (0.43) MAPK8MAPTGSK3BADORA3PRKD3
SCHEMBL19699470 0.80 RIOK2 (0.46) MAPTGSK3BRIOK2TYK2ALDH1A1
SCHEMBL19699522 0.80 RIOK2 (0.46) MAPTGSK3BRIOK2TYK2ALDH1A1
SCHEMBL19699569 0.79 MAPK8 (0.44) MAPK8MAPTGSK3BADORA3PRKD3
SCHEMBL20733203 0.77 MAPK8 (0.39) MAPK8ADORA3MAPK1TYK2ADORA2A
SCHEMBL19699493 0.77 PRKD3 (0.37) MAPK8MAPTGSK3BADORA3PRKD3

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1686/4885MAPT 306/4885GSK3B 2322/4885

“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.