SCHEMBL2247441

SCHEMBL2247441

COc1ccc(-c2cccc(CCNC(=O)[C@H](CCC(=O)O)NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.52
CTSL P07711 5/20 0.52
CTSK P43235 4/20 0.52
CTSB P07858 1/20 0.52
ADAMTS5 Q9UNA0 3/20 0.51
ADAMTS4 O75173 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MMP2 P08253 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL2247911 0.93 L3MBTL1 (0.52) CTSSCTSLCTSKCTSBADAMTS5
SCHEMBL2247765 0.92 ADAMTS5 (0.59) CTSSCTSLCTSKADAMTS5ADAMTS4
SCHEMBL2247378 0.92 ADAMTS5 (0.59) CTSSCTSLCTSKADAMTS5ADAMTS4
SCHEMBL2246984 0.86 L3MBTL1 (0.60) CTSSCTSLCTSKCTSBADAMTS5
SCHEMBL2249101 0.86 SMN1; SMN2 (0.58) ADAMTS5ADAMTS4MMP2NPC1RAB9A
SCHEMBL2245222 0.86 CTSB (0.51) CTSSCTSLCTSKCTSBADAMTS5
SCHEMBL2247634 0.86 ADAMTS5 (0.54) CTSSCTSLCTSKCTSBADAMTS5
SCHEMBL2246551 0.84 CTSL (0.60) CTSSCTSLCTSKCTSBADAMTS5
SCHEMBL2247016 0.84 CCKBR (0.60) ALDH1A1
SCHEMBL2251666 0.84 NPC1 (0.67) CTSSCTSLADAMTS5ADAMTS4MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
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 CTSS 264/4885CTSL 294/4885CTSK 297/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CTSS 264/4885CTSL 294/4885CTSK 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.