SCHEMBL2247751

SCHEMBL2247751

COc1cc(CNC(=O)[C@H](CCC(=O)O)NC(=O)c2cccc3c2Cc2ccccc2-3)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.58
LMNA P02545 1/20 0.40
NAMPT P43490 1/20 0.40
ATM Q13315 1/20 0.40
APEX1 P27695 1/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
PDE2A O00408 1/20 0.39

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
SCHEMBL2252373 0.90 MMP2 (0.58) MMP2LMNANAMPTATMAPEX1
SCHEMBL2245195 0.85 MMP2 (0.61) MMP2LMNANAMPTADAMTS4ADAMTS5
SCHEMBL2248116 0.79 MMP2 (0.69) MMP2LMNAADAMTS4ADAMTS5POLB
SCHEMBL2247265 0.78 MMP2 (0.63) MMP2ADAMTS4ADAMTS5POLB
SCHEMBL2248300 0.78 MMP2 (0.57) MMP2ADAMTS4ADAMTS5POLBPDE2A
SCHEMBL2247332 0.78 DRD2 (0.47)
SCHEMBL2245566 0.77 MMP2 (0.66) MMP2LMNA
SCHEMBL2247525 0.77 MMP2 (0.66) MMP2ADAMTS4ADAMTS5
SCHEMBL2244023 0.77 MEN1 (0.47)
SCHEMBL2251709 0.76 DRD2 (0.47)

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 MMP2 49/4885LMNA 4015/4885NAMPT 844/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885LMNA 4015/4885NAMPT 844/4885

“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.