SCHEMBL2247684

SCHEMBL2247684

CC(C)(Cc1ccc(F)cc1)N[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.45
MMP8 P22894 2/20 0.45
MMP12 P39900 2/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
MMP3 P08254 1/20 0.37
MMP10 P09238 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CETP P11597 1/20 0.36
MMEL1 Q495T6 4/20 0.36
C3AR1 Q16581 1/20 0.36
MME P08473 7/20 0.36
ACE P12821 5/20 0.36
TDP2 O95551 1/20 0.35
CASR P41180 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2245203 0.94 MMP2 (0.38) MMP2MMP8MMP12ADAMTS5MMP3
SCHEMBL2254236 0.92 MMP2 (0.47) MMP2MMP8MMP12ADAMTS5MMP3
SCHEMBL2242489 0.92 MMP2 (0.46) MMP2MMP8MMP12ADAMTS5CETP
SCHEMBL2248057 0.92 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5MMP3
SCHEMBL2249892 0.91 MMP2 (0.49) MMP2MMP8MMP12ADAMTS5MMP9
SCHEMBL2248771 0.91 MMP2 (0.44) MMP2MMP8MMP12ADAMTS5CETP
SCHEMBL2247912 0.88 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5CETP
SCHEMBL2247715 0.87 CYP3A4 (0.39) MMP2MMP8MMP12ADAMTS5
SCHEMBL2247595 0.87 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5CETP
SCHEMBL2247342 0.86 MMP2 (0.41) MMP2MMP8MMP12ADAMTS5MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
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
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 49/4885MMP8 70/4885MMP12 54/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885MMP8 70/4885MMP12 54/4885

“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.