SCHEMBL2247477

SCHEMBL2247477

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccc3occc3c2)cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.51
P2RX7 Q99572 3/20 0.46
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
DHFR P00374 1/20 0.38

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
SCHEMBL2248673 0.86 CCKBR (0.59) CCKBRP2RX7ADAMTS4ADAMTS5
SCHEMBL2248788 0.84 CCKBR (0.56) CCKBRP2RX7ITGB3ITGA2BADAMTS4
SCHEMBL2249370 0.84 CCKBR (0.50) CCKBRP2RX7ITGB3ITGA2BADAMTS4
SCHEMBL2251589 0.83 CCKBR (0.55) CCKBRP2RX7ITGB3ITGA2BADAMTS4
SCHEMBL2247338 0.80 CCKBR (0.57) CCKBRP2RX7ADAMTS4ADAMTS5
SCHEMBL2250194 0.80 CCKBR (0.56) CCKBRP2RX7ADAMTS4ADAMTS5
SCHEMBL2244033 0.76 CCKBR (0.47) CCKBRP2RX7ADAMTS4ADAMTS5DHFR
SCHEMBL2247494 0.74 CCKBR (0.49) CCKBRP2RX7ADAMTS4ADAMTS5DHFR
SCHEMBL2247480 0.70 FFAR1 (0.36) P2RX7CTNNB1WNT3A
SCHEMBL10067541 0.69 CCKBR (0.48) CCKBRP2RX7

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 3071/4885ITGB3 2737/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CCKBR 2177/4885P2RX7 3071/4885ITGB3 2737/4885

“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.