SCHEMBL2244033

SCHEMBL2244033

COc1cc(COc2ccc(-c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NCC45CC6CC(CC(C6)C4)C5)cc3)cc2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.47
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 1/20 0.43
DHFR P00374 2/20 0.42
P2RX7 Q99572 1/20 0.42
FAAH O00519 1/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 2/20 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
SCHEMBL2247494 0.93 CCKBR (0.49) CCKBRALDH1A1MEN1KMT2ACTSS
SCHEMBL2248788 0.83 CCKBR (0.56) CCKBRALDH1A1P2RX7CNR2ADAMTS4
SCHEMBL2248673 0.83 CCKBR (0.59) CCKBRALDH1A1P2RX7ADAMTS4ADAMTS5
SCHEMBL3583762 0.82 CTSS (0.53) CTSSCTSKDHFRADAMTS4ADAMTS5
SCHEMBL2251589 0.81 CCKBR (0.55) CCKBRP2RX7ADAMTS4ADAMTS5
SCHEMBL4373373 0.81 FAAH (0.43) ALDH1A1KMT2ADHFRP2RX7FAAH
SCHEMBL2243988 0.80 MMP12 (0.53) ALDH1A1KMT2ACTSSCTSKDHFR
SCHEMBL2247338 0.77 CCKBR (0.57) CCKBRP2RX7ADAMTS4ADAMTS5
SCHEMBL2250194 0.77 CCKBR (0.56) CCKBRP2RX7ADAMTS4ADAMTS5
SCHEMBL3583723 0.77 KLKB1 (0.54) CTSSCTSKDHFRADAMTS4ADAMTS5

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 2177/4885ALDH1A1 991/4885MEN1 2734/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CCKBR 2177/4885ALDH1A1 991/4885MEN1 2734/4885

“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.