SCHEMBL8246293

SCHEMBL8246293

CCOC(=O)CC[C@@H](CO)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
ROCK2 O75116 2/20 0.49
RPS6KA5 O75582 2/20 0.49
PRKACA P17612 2/20 0.49
MAPK1 P28482 2/20 0.49
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
IRAK1 P51617 2/20 0.49
PRKX P51817 2/20 0.49
ROCK1 Q13464 2/20 0.49
PRKG1 Q13976 2/20 0.49
PKN2 Q16513 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
SGK2 Q9HBY8 2/20 0.49
RPS6KA4 O75676 1/20 0.49
CYP26A1 O43174 1/20 0.47
P2RY12 Q9H244 2/20 0.45
HPGDS O60760 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL13813949 1.00 RAB9A (0.52) RAB9ANPC1ROCK2RPS6KA5PRKACA
SCHEMBL2245050 0.89 NPC1 (0.52) RAB9ANPC1ROCK2RPS6KA5PRKACA
SCHEMBL8242593 0.85 L3MBTL1 (0.58) RAB9ANPC1CYP26A1P2RY12L3MBTL1
SCHEMBL2251586 0.85 L3MBTL1 (0.58) RAB9ANPC1CYP26A1P2RY12L3MBTL1
SCHEMBL8237481 0.85 RAB9A (0.54) RAB9ANPC1CYP26A1P2RY12HPGDS
SCHEMBL13813947 0.83 PRKACA (0.56) RAB9ANPC1ROCK2RPS6KA5PRKACA
SCHEMBL2247423 0.83 PRKACA (0.56) RAB9ANPC1ROCK2RPS6KA5PRKACA
SCHEMBL12366265 0.83 NPC1 (0.69) RAB9ANPC1ROCK2RPS6KA5PRKACA
SCHEMBL2249098 0.83 PRKACA (0.56) RAB9ANPC1ROCK2RPS6KA5PRKACA
SCHEMBL3706987 0.78 L3MBTL1 (0.61) CYP26A1P2RY12L3MBTL1HPGD

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-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 RAB9A 3609/4885NPC1 3103/4885ROCK2 3155/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 RAB9A 3609/4885NPC1 3103/4885ROCK2 3155/4885

“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.