SCHEMBL2247357

SCHEMBL2247357

COc1cccc(CNC(=O)[C@H](CCC(=O)O)NC(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.61
ROCK2 O75116 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
PRKACA P17612 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
PRKX P51817 1/20 0.57
PRKCQ Q04759 1/20 0.57
ROCK1 Q13464 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
ATM Q13315 1/20 0.55
HDAC1 Q13547 1/20 0.54
ADAMTS5 Q9UNA0 2/20 0.53
ADAMTS4 O75173 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MMP13 P45452 3/20 0.51
MMP8 P22894 1/20 0.51

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
SCHEMBL2245726 0.92 MMP2 (0.55) MMP2CYP3A4HDAC1ADAMTS5ADAMTS4
SCHEMBL3583723 0.92 KLKB1 (0.54) MMP2ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL2247911 0.90 L3MBTL1 (0.52) MMP2ADAMTS5ADAMTS4RAB9AMMP8
SCHEMBL2251116 0.89 NPY1R (0.55) MMP2ATMNPC1MMP13MMP8
SCHEMBL2251666 0.89 NPC1 (0.67) MMP2CYP3A4CYP2D6CYP2C9HDAC1
SCHEMBL3595965 0.88 KLKB1 (0.53) MMP2HDAC1ADAMTS5ADAMTS4NPC1
SCHEMBL1543461 0.88 MMP2 (0.55) MMP2ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL2244721 0.87 MAPK14 (0.59) MMP2ROCK2ROCK1ADAMTS5ADAMTS4
SCHEMBL3583762 0.87 CTSS (0.53) MMP2ADAMTS5ADAMTS4NPC1RAB9A
SCHEMBL2247941 0.87 MMP2 (0.56) MMP2ADAMTS5ADAMTS4MMP8MMP12

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-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 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 MMP2 49/4885ROCK2 3155/4885CYP3A4 4874/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885ROCK2 3155/4885CYP3A4 4874/4885

“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.