SCHEMBL12366267

SCHEMBL12366267

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 4/20 0.54
PRKX P51817 4/20 0.54
ROCK1 Q13464 4/20 0.54
CLK4 Q9HAZ1 4/20 0.54
GSK3A P49840 3/20 0.54
GSK3B P49841 3/20 0.54
ROCK2 O75116 3/20 0.54
IRAK1 P51617 3/20 0.54
PRKG1 Q13976 3/20 0.54
PKN2 Q16513 3/20 0.54
RPS6KA5 O75582 2/20 0.54
MAPK1 P28482 2/20 0.54
SGK2 Q9HBY8 2/20 0.54
RPS6KA4 O75676 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGDS O60760 1/20 0.50
RPS6KB1 P23443 2/20 0.47
PRKG2 Q13237 2/20 0.47
MAPK13 O15264 1/20 0.47

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
SCHEMBL2249098 0.83 PRKACA (0.56) PRKACAPRKXROCK1CLK4GSK3A
SCHEMBL12366265 0.83 NPC1 (0.69) PRKACAPRKXROCK1CLK4GSK3A
SCHEMBL2247423 0.83 PRKACA (0.56) PRKACAPRKXROCK1CLK4GSK3A
SCHEMBL13813947 0.83 PRKACA (0.56) PRKACAPRKXROCK1CLK4GSK3A
SCHEMBL12366266 0.82 NPC1 (0.52) PRKACAPRKXROCK1CLK4GSK3A
SCHEMBL2245050 0.78 NPC1 (0.52) PRKACAPRKXROCK1CLK4GSK3A
SCHEMBL7453482 0.78 ROCK2 (0.82) PRKACAPRKXROCK1CLK4GSK3A
SCHEMBL6386975 0.76 HDAC1 (0.60) PRKACAPRKXROCK1CLK4GSK3A
SCHEMBL3941746 0.76 CTRB1 (0.53) PRKACAPRKXROCK1CLK4GSK3A
SCHEMBL29167801 0.76 CTRB1 (0.53) PRKACAPRKXROCK1CLK4GSK3A

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 3 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

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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 PRKACA 4529/4885PRKX 4521/4885ROCK1 3011/4885

“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.