SCHEMBL2247776

SCHEMBL2247776

O=C(O)CC[C@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.52
ROCK1 Q13464 3/20 0.45
MAPK1 P28482 2/20 0.45
RPS6KA5 O75582 1/20 0.45
RPS6KA4 O75676 1/20 0.45
PRKACA P17612 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
IRAK1 P51617 1/20 0.45
PRKX P51817 1/20 0.45
PRKG1 Q13976 1/20 0.45
PKN2 Q16513 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
SGK2 Q9HBY8 1/20 0.45
SRD5A2 P31213 1/20 0.44
CYP3A4 P08684 1/20 0.43
FOLH1 Q04609 2/20 0.42
HPGD P15428 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL3584703 0.84 CCKBR (0.49) SRD5A2
SCHEMBL2252195 0.83 SRD5A2 (0.50) SRD5A2HPGDMAPK14ADAMTS4ADAMTS5
SCHEMBL2251966 0.82 MAPK1 (0.62) ROCK2ROCK1MAPK1RPS6KA5RPS6KA4
SCHEMBL2245300 0.81 MMP2 (0.49) ROCK2ROCK1SRD5A2
SCHEMBL2244941 0.81 MMP2 (0.49) ROCK2ROCK1SRD5A2
SCHEMBL2248774 0.81 CCKBR (0.51) ROCK2FOLH1DRD2DRD4DRD3
SCHEMBL2248214 0.80 HPGDS (0.57) ROCK2SRD5A2DRD2DRD4DRD3
SCHEMBL2246128 0.79 CCKBR (0.50) SRD5A2
SCHEMBL2252339 0.79 CCKBR (0.48) FOLH1DRD2DRD4DRD3
SCHEMBL2242388 0.79 MMP2 (0.50) ROCK2

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 7 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-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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP 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 ROCK2 3155/4885ROCK1 3011/4885MAPK1 3853/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ROCK2 3155/4885ROCK1 3011/4885MAPK1 3853/4885

“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.