SCHEMBL2247494

SCHEMBL2247494

COc1cccc(COc2ccc(-c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NCC45CC6CC(CC(C6)C4)C5)cc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.49
P2RX7 Q99572 2/20 0.43
FAAH O00519 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
DHFR P00374 1/20 0.42
MMP2 P08253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 2/20 0.41
FFAR1 O14842 1/20 0.41
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL2244033 0.93 CCKBR (0.47) CCKBRP2RX7FAAHCNR2ALDH1A1
SCHEMBL4373373 0.88 FAAH (0.43) P2RX7FAAHCNR2ALDH1A1DHFR
SCHEMBL3583723 0.85 KLKB1 (0.54) CTSSCTSKDHFRMMP2ADAMTS4
SCHEMBL2248673 0.83 CCKBR (0.59) CCKBRP2RX7ALDH1A1MMP2ADAMTS4
SCHEMBL3595965 0.82 KLKB1 (0.53) CTSSCTSKDHFRMMP2FFAR1
SCHEMBL2245261 0.81 MMP12 (0.56) ALDH1A1DHFRKMT2AFFAR1
SCHEMBL2248788 0.81 CCKBR (0.56) CCKBRP2RX7CNR2ALDH1A1MMP2
SCHEMBL2251589 0.80 CCKBR (0.55) CCKBRP2RX7MMP2ADAMTS4ADAMTS5
SCHEMBL2250529 0.80 ADAMTS5 (0.64) CTSSCTSKDHFRMMP2KMT2A
SCHEMBL3583762 0.79 CTSS (0.53) CTSSCTSKDHFRMMP2ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCKBR 2177/4885P2RX7 3071/4885FAAH 262/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CCKBR 2177/4885P2RX7 3071/4885FAAH 262/4885

“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.