SCHEMBL2245222

SCHEMBL2245222

O=Cc1ccc(-c2cccc(CCNC(=O)[C@H](CCC(=O)O)NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
CTSL P07711 1/20 0.51
ADAMTS5 Q9UNA0 2/20 0.49
ADAMTS4 O75173 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MMP12 P39900 2/20 0.47
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
CCKBR P32239 2/20 0.47
FOLH1 Q04609 2/20 0.46

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
SCHEMBL2248766 0.92 ADAMTS5 (0.53) CTSBCTSSCTSKADAMTS5ADAMTS4
SCHEMBL2246984 0.87 L3MBTL1 (0.60) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL2247634 0.86 ADAMTS5 (0.54) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL2247441 0.86 CTSS (0.52) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL2246551 0.85 CTSL (0.60) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL2247016 0.85 CCKBR (0.60) CCKBR
SCHEMBL2245074 0.84 ADAMTS5 (0.60) CTSBCTSSCTSKADAMTS5ADAMTS4
SCHEMBL2247580 0.83 CTSL (0.58) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL2247911 0.83 L3MBTL1 (0.52) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL2246518 0.80 L3MBTL1 (0.58) CTSBCTSSCTSKADAMTS5ADAMTS4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 CTSB 192/4885CTSS 264/4885CTSK 297/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CTSB 192/4885CTSS 264/4885CTSK 297/4885

“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.