SCHEMBL3584207

SCHEMBL3584207

O=C(O)CC[C@H](NC(=O)c1ccc(-c2cccnc2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.53
CTSS P25774 3/20 0.53
CTSL P07711 2/20 0.53
CTSV O60911 1/20 0.53
ADAMTS5 Q9UNA0 2/20 0.53
ADAMTS4 O75173 1/20 0.53
ROCK2 O75116 1/20 0.51
RPS6KA5 O75582 1/20 0.51
MAP4K4 O95819 1/20 0.51
PRKCG P05129 1/20 0.51
PRKACA P17612 1/20 0.51
RPS6KB1 P23443 1/20 0.51
MAPK1 P28482 1/20 0.51
AKT1 P31749 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
PRKX P51817 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKG2 Q13237 1/20 0.51
ROCK1 Q13464 1/20 0.51

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
SCHEMBL3583565 0.90 ROCK1 (0.64) CTSBCTSSCTSLCTSVADAMTS5
SCHEMBL3576509 0.90 ADAMTS5 (0.62) CTSBCTSSCTSLADAMTS5ADAMTS4
SCHEMBL2247163 0.89 MMP13 (0.65) CTSBCTSSCTSLCTSVADAMTS5
SCHEMBL3579414 0.86 ADAMTS5 (0.57) CTSBCTSSCTSLADAMTS5ADAMTS4
SCHEMBL2247866 0.85 ADAMTS5 (0.56) CTSBCTSSADAMTS5ADAMTS4KDM1A
SCHEMBL3586210 0.84 ADAMTS5 (0.58) CTSBCTSSCTSLADAMTS5ADAMTS4
SCHEMBL3584878 0.83 CTSL (0.54) CTSBCTSSCTSLADAMTS5ADAMTS4
SCHEMBL2249522 0.83 ADAMTS5 (0.54) CTSBCTSSADAMTS5ADAMTS4KDM1A
SCHEMBL2245585 0.83 ADAMTS5 (0.56) CTSBCTSSADAMTS5ADAMTS4KDM1A
SCHEMBL2245328 0.83 MMP12 (0.70) CTSBCTSSADAMTS5ADAMTS4KDM1A

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

“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.