SCHEMBL2245471

SCHEMBL2245471

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1cccc(I)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.69
ADAMTS5 Q9UNA0 2/20 0.53
ADAMTS4 O75173 1/20 0.53
FOLH1 Q04609 5/20 0.53
MMP12 P39900 2/20 0.51
MMP8 P22894 1/20 0.51
KDM1A O60341 6/20 0.51
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
CTSL P07711 1/20 0.50
MAOA P21397 1/20 0.49
L3MBTL1 Q9Y468 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 0.89 ADAMTS5 (0.62) MMP2ADAMTS5ADAMTS4MMP12MMP8
SCHEMBL2245585 0.88 ADAMTS5 (0.56) MMP2ADAMTS5ADAMTS4FOLH1MMP12
SCHEMBL2246335 0.87 MMP2 (0.58) MMP2ADAMTS5ADAMTS4FOLH1MMP12
SCHEMBL2247941 0.87 MMP2 (0.56) MMP2ADAMTS5ADAMTS4MMP12MMP8
SCHEMBL3591190 0.85 CTSB (0.55) MMP2ADAMTS5ADAMTS4MMP12MMP8
SCHEMBL2245158 0.85 KDM1A (0.65) MMP2ADAMTS5ADAMTS4MMP12MMP8
SCHEMBL2247570 0.85 MMP2 (0.52) MMP2ADAMTS5ADAMTS4MMP12MMP8
SCHEMBL2247357 0.85 MMP2 (0.61) MMP2ADAMTS5ADAMTS4MMP12MMP8
SCHEMBL2245982 0.85 KDM1A (0.58) MMP2ADAMTS5ADAMTS4MMP12MMP8
SCHEMBL2244917 0.85 MMP2 (0.54) MMP2ADAMTS5ADAMTS4MMP12MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
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 MMP2 49/4885ADAMTS5 1/4885ADAMTS4 5/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885ADAMTS5 1/4885ADAMTS4 5/4885

“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.