SCHEMBL2249755

SCHEMBL2249755

CCOc1cccc(-c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C)(C)Cc3ccccc3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.68
MMP12 P39900 2/20 0.68
MMP2 P08253 1/20 0.68
MMP8 P22894 1/20 0.68
ADAMTS4 O75173 1/20 0.58
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
P2RY12 Q9H244 3/20 0.47
KLKB1 P03952 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2244932 0.91 ADAMTS5 (0.70) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2247848 0.88 ADAMTS5 (0.66) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2245862 0.88 ADAMTS5 (0.86) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2242407 0.88 ADAMTS5 (0.86) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL3589769 0.86 KLKB1 (0.62) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2244680 0.86 ADAMTS5 (0.66) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL4623514 0.85 ADAMTS5 (0.65) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2244639 0.85 ADAMTS5 (0.82) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2252056 0.85 ADAMTS5 (0.69) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2250529 0.84 ADAMTS5 (0.64) 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 8 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
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 1/4885MMP12 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.