SCHEMBL2248673

SCHEMBL2248673

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.59
P2RX7 Q99572 4/20 0.56
ADAMTS5 Q9UNA0 2/20 0.53
ADAMTS4 O75173 1/20 0.53
MMP12 P39900 2/20 0.48
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL2248788 0.94 CCKBR (0.56) CCKBRP2RX7ADAMTS5ADAMTS4MMP12
SCHEMBL2251589 0.90 CCKBR (0.55) CCKBRP2RX7ADAMTS5ADAMTS4MMP12
SCHEMBL2247338 0.89 CCKBR (0.57) CCKBRP2RX7ADAMTS5ADAMTS4MMP2
SCHEMBL2250194 0.87 CCKBR (0.56) CCKBRP2RX7ADAMTS5ADAMTS4
SCHEMBL2247477 0.86 CCKBR (0.51) CCKBRP2RX7ADAMTS5ADAMTS4
SCHEMBL2249370 0.85 CCKBR (0.50) CCKBRP2RX7ADAMTS5ADAMTS4
SCHEMBL2244033 0.83 CCKBR (0.47) CCKBRP2RX7ADAMTS5ADAMTS4ALDH1A1
SCHEMBL2247494 0.83 CCKBR (0.49) CCKBRP2RX7ADAMTS5ADAMTS4MMP2
SCHEMBL2248309 0.79 ADAMTS5 (0.58) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL3576509 0.77 ADAMTS5 (0.62) CCKBRADAMTS5ADAMTS4MMP12MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCKBR 2177/4885P2RX7 3071/4885ADAMTS5 1/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CCKBR 2177/4885P2RX7 3071/4885ADAMTS5 1/4885

“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.