SCHEMBL2247041

SCHEMBL2247041

CN(C)c1ccc(CNC(=O)[C@H](CCC(=O)O)NC(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.56
ADAMTS4 O75173 1/20 0.56
MMP2 P08253 1/20 0.56
MMP8 P22894 1/20 0.56
MMP12 P39900 1/20 0.56
CTSB P07858 2/20 0.52
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
PADI6 Q6TGC4 1/20 0.50
PADI4 Q9UM07 1/20 0.50
PADI2 Q9Y2J8 1/20 0.50
KDM1A O60341 2/20 0.49
F7 P08709 1/20 0.49
MAOA P21397 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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 0.89 ADAMTS5 (0.62) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2244917 0.89 MMP2 (0.54) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2246985 0.88 ADAMTS5 (0.59) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL3586210 0.87 ADAMTS5 (0.58) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2247492 0.86 ADAMTS5 (0.66) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2245585 0.86 ADAMTS5 (0.56) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL4648193 0.86 ADAMTS5 (0.59) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2245328 0.86 MMP12 (0.70) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2251666 0.85 NPC1 (0.67) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2248385 0.85 ADAMTS5 (0.56) ADAMTS5ADAMTS4MMP2MMP8MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 ADAMTS5 1/4885ADAMTS4 5/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885ADAMTS4 5/4885MMP2 49/4885

“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.