SCHEMBL2245709

SCHEMBL2245709

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.54
CTSB P07858 3/20 0.54
CTSK P43235 3/20 0.54
CTSL P07711 3/20 0.54
MMP2 P08253 2/20 0.51
ADAMTS5 Q9UNA0 2/20 0.50
ADAMTS4 O75173 1/20 0.50
KDM1A O60341 6/20 0.48
MMP12 P39900 2/20 0.48
MMP8 P22894 1/20 0.48
MAOA P21397 1/20 0.47
PADI6 Q6TGC4 1/20 0.47
KLKB1 P03952 1/20 0.46
CTSV O60911 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA5 P08648 1/20 0.45
MDM2 Q00987 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3575621 0.94 ADAMTS5 (0.53) CTSSCTSBCTSKCTSLMMP2
SCHEMBL3591190 0.86 CTSB (0.55) CTSSCTSBCTSKCTSLMMP2
SCHEMBL3576509 0.85 ADAMTS5 (0.62) CTSSCTSBCTSKCTSLMMP2
SCHEMBL2245982 0.85 KDM1A (0.58) CTSSCTSBCTSKCTSLMMP2
SCHEMBL2244954 0.84 ADAMTS5 (0.52) CTSSCTSBCTSKMMP2ADAMTS5
SCHEMBL2246335 0.84 MMP2 (0.58) CTSSCTSBCTSKCTSLMMP2
SCHEMBL2245471 0.84 MMP2 (0.69) CTSSCTSBCTSKCTSLMMP2
SCHEMBL2247941 0.84 MMP2 (0.56) CTSSCTSBCTSKCTSLMMP2
SCHEMBL3577147 0.83 KLKB1 (0.56) CTSSCTSBCTSKCTSLMMP2
SCHEMBL3583969 0.82 PADI6 (0.64) MMP2PADI6ITGB3ITGB1ITGAV

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 CTSS 264/4885CTSB 192/4885CTSK 297/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CTSS 264/4885CTSB 192/4885CTSK 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.