SCHEMBL2247652

SCHEMBL2247652

COc1ccc(-c2ccc(C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)[C@@H](CCC(=O)O)C(N)=O)cc2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.41
ADAMTS5 Q9UNA0 2/20 0.41
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
TP53 P04637 3/20 0.40
FYN P06241 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
THRB P10828 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL2251692 0.93 ADAMTS4 (0.47) ADAMTS4ADAMTS5PDE4APDE4BPDE4C
SCHEMBL2247998 0.92 ADAMTS4 (0.41) ADAMTS4ADAMTS5TP53FYNMAPT
SCHEMBL2251182 0.92 POLB (0.46) ADAMTS4ADAMTS5PDE4BTP53MAPT
SCHEMBL2244323 0.91 ADAMTS4 (0.41) ADAMTS4ADAMTS5TP53FYNMAPT
SCHEMBL2254244 0.91 ADAMTS4 (0.41) ADAMTS4ADAMTS5TP53FYNMAPT
SCHEMBL2248511 0.91 ADAMTS4 (0.40) ADAMTS4ADAMTS5PDE4APDE4BPDE4C
SCHEMBL2244958 0.91 ADAMTS4 (0.40) ADAMTS4ADAMTS5TP53FYNMAPT
SCHEMBL2252342 0.90 HSD17B2 (0.48) ADAMTS4ADAMTS5TP53MAPTMAPK1
SCHEMBL2244812 0.90 HSD17B2 (0.43) ADAMTS4ADAMTS5TP53FYNMAPT
SCHEMBL2253100 0.90 ADAMTS4 (0.39) ADAMTS4ADAMTS5TP53MAPTPOLB

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
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
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 ADAMTS4 5/4885ADAMTS5 1/4885PDE4A 2767/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS4 5/4885ADAMTS5 1/4885PDE4A 2767/4885

“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.