SCHEMBL2247383

SCHEMBL2247383

CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.85
MMP12 P39900 2/20 0.85
MMP2 P08253 1/20 0.85
MMP8 P22894 1/20 0.85
ADAMTS4 O75173 1/20 0.56
USP30 Q70CQ3 3/20 0.48
CTSL P07711 4/20 0.44
CA2 P00918 3/20 0.43
CA1 P00915 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN1 P18031 1/20 0.41

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
Agg-523 SCHEMBL2246660 0.92 ADAMTS5 (1.00) ADAMTS5MMP12MMP2MMP8ADAMTS4
Agg-523 SCHEMBL2245079 0.92 ADAMTS5 (1.00) ADAMTS5MMP12MMP2MMP8ADAMTS4
Agg-523 SCHEMBL2246038 0.92 ADAMTS5 (1.00) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2245188 0.90 ADAMTS5 (0.96) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL8243166 0.89 MMP2 (0.87) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL13790881 0.89 ADAMTS5 (0.83) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL3892447 0.87 ADAMTS5 (0.80) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL3892449 0.87 ADAMTS5 (0.80) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2247910 0.86 ADAMTS5 (0.89) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2248294 0.85 ADAMTS5 (0.87) ADAMTS5MMP12MMP2MMP8ADAMTS4

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 ADAMTS5 1/4885MMP12 54/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885MMP12 54/4885MMP2 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.