SCHEMBL3584878

SCHEMBL3584878

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccn2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
HPGDS O60760 3/20 0.50
ADAMTS5 Q9UNA0 2/20 0.50
ADAMTS4 O75173 1/20 0.50
KMT2A Q03164 1/20 0.49
KDM1A O60341 6/20 0.48
MAOA P21397 1/20 0.48
MMP2 P08253 2/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
CCKBR P32239 1/20 0.47
KDM1B Q8NB78 1/20 0.46
KLKB1 P03952 1/20 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
SCHEMBL2247917 0.92 CTSL (0.60) CTSLCTSBCTSSADAMTS5ADAMTS4
SCHEMBL3576509 0.88 ADAMTS5 (0.62) CTSLCTSBCTSSADAMTS5ADAMTS4
SCHEMBL1543187 0.87 HPGDS (0.67) HPGDSADAMTS5ADAMTS4KDM1AMAOA
SCHEMBL1542987 0.87 HPGDS (0.67) HPGDSADAMTS5ADAMTS4KDM1AMAOA
SCHEMBL2248933 0.87 KMT2A (0.54) CTSLCTSBCTSSADAMTS5ADAMTS4
SCHEMBL3583565 0.86 ROCK1 (0.64) CTSLCTSBCTSSADAMTS5ADAMTS4
SCHEMBL2247163 0.85 MMP13 (0.65) CTSLCTSBCTSSADAMTS5ADAMTS4
SCHEMBL2247580 0.84 CTSL (0.58) CTSLCTSBCTSSADAMTS5ADAMTS4
SCHEMBL2247747 0.84 KDM1A (0.53) ADAMTS5ADAMTS4KDM1AMAOAMMP2
SCHEMBL3583040 0.84 ADAMTS5 (0.48) 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 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.