SCHEMBL3583565

SCHEMBL3583565

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccncc2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.64
ROCK2 O75116 8/20 0.64
GSK3B P49841 6/20 0.64
CLK4 Q9HAZ1 6/20 0.64
GSK3A P49840 5/20 0.64
RPS6KA5 O75582 5/20 0.64
PRKG1 Q13976 5/20 0.64
PKN2 Q16513 5/20 0.64
PRKACA P17612 4/20 0.64
PRKX P51817 4/20 0.64
MAPK1 P28482 4/20 0.64
SGK2 Q9HBY8 4/20 0.64
AKT1 P31749 4/20 0.64
PRKCD Q05655 4/20 0.64
PRKG2 Q13237 4/20 0.64
MAP4K4 O95819 3/20 0.64
PRKCG P05129 3/20 0.64
RPS6KB1 P23443 3/20 0.64
DYRK1A Q13627 3/20 0.64
CDC42BPA Q5VT25 3/20 0.64

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
SCHEMBL2247163 0.97 MMP13 (0.65) ROCK1ROCK2GSK3BCLK4GSK3A
SCHEMBL3576509 0.93 ADAMTS5 (0.62) ROCK1ROCK2GSK3BCLK4GSK3A
SCHEMBL3584207 0.90 CTSB (0.53) ROCK1ROCK2GSK3BCLK4GSK3A
SCHEMBL3579414 0.89 ADAMTS5 (0.57) ADAMTS5ADAMTS4KDM1AMAOACTSS
SCHEMBL2247866 0.88 ADAMTS5 (0.56) ADAMTS5ADAMTS4KDM1AMAOACTSS
SCHEMBL2252325 0.87 ADAMTS5 (0.53) ROCK1ROCK2GSK3BCLK4GSK3A
SCHEMBL3586210 0.87 ADAMTS5 (0.58) ADAMTS5ADAMTS4KDM1AMAOACTSS
SCHEMBL3584878 0.86 CTSL (0.54) ADAMTS5ADAMTS4KDM1AMAOACTSS
SCHEMBL2249522 0.86 ADAMTS5 (0.54) ADAMTS5ADAMTS4KDM1AMAOACTSS
SCHEMBL2245585 0.85 ADAMTS5 (0.56) ADAMTS5ADAMTS4KDM1AMAOACTSS

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
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
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

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 ROCK1 3011/4885ROCK2 3155/4885GSK3B 2399/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ROCK1 3011/4885ROCK2 3155/4885GSK3B 2399/4885

“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.