SCHEMBL3584960

SCHEMBL3584960

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.55
CTSB P07858 2/20 0.55
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
ADAMTS5 Q9UNA0 2/20 0.53
ADAMTS4 O75173 1/20 0.53
FOLH1 Q04609 2/20 0.52
KDM1A O60341 1/20 0.52
MAOA P21397 1/20 0.52
MMP2 P08253 2/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
MCHR1 Q99705 1/20 0.51
CTNNB1 P35222 1/20 0.51
CCKBR P32239 2/20 0.49
PADI6 Q6TGC4 1/20 0.49
KLKB1 P03952 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
SCHEMBL3576509 0.91 ADAMTS5 (0.62) CTSLCTSBCTSSCTSKADAMTS5
SCHEMBL3584792 0.89 FOLH1 (0.54) CTSLCTSBCTSSCTSKADAMTS5
SCHEMBL3591190 0.87 CTSB (0.55) CTSLCTSBCTSSCTSKADAMTS5
SCHEMBL3579414 0.87 ADAMTS5 (0.57) CTSLCTSBCTSSCTSKADAMTS5
SCHEMBL2247866 0.86 ADAMTS5 (0.56) CTSBCTSSCTSKADAMTS5ADAMTS4
SCHEMBL3583969 0.85 PADI6 (0.64) MMP2CCKBRPADI6
SCHEMBL3583743 0.85 ADAMTS5 (0.56) CTSLCTSBCTSSCTSKADAMTS5
SCHEMBL3577147 0.85 KLKB1 (0.56) CTSLCTSBCTSSCTSKADAMTS5
SCHEMBL3583565 0.85 ROCK1 (0.64) CTSLCTSBCTSSCTSKADAMTS5
SCHEMBL3586210 0.85 ADAMTS5 (0.58) CTSLCTSBCTSSCTSKADAMTS5

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 8 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-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 CTSL 294/4885CTSB 192/4885CTSS 264/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CTSL 294/4885CTSB 192/4885CTSS 264/4885

“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.