SCHEMBL3588293

SCHEMBL3588293

O=C(O)CC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.52
MMP2 P08253 3/20 0.52
CCKBR P32239 1/20 0.52
ADAMTS5 Q9UNA0 2/20 0.51
ADAMTS4 O75173 1/20 0.51
KDM1A O60341 4/20 0.49
FOLH1 Q04609 2/20 0.49
MAOA P21397 1/20 0.49
KDM1B Q8NB78 1/20 0.49
PADI4 Q9UM07 1/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL3576509 0.90 ADAMTS5 (0.62) MMP2CCKBRADAMTS5ADAMTS4KDM1A
SCHEMBL2247747 0.89 KDM1A (0.53) MMP2CCKBRADAMTS5ADAMTS4KDM1A
SCHEMBL7741059 0.88 MMP2 (0.54) KMT2AMMP2CCKBRADAMTS5ADAMTS4
SCHEMBL7741064 0.88 MMP2 (0.54) KMT2AMMP2CCKBRADAMTS5ADAMTS4
SCHEMBL3585004 0.86 ACACB (0.51) MMP2CCKBRADAMTS5ADAMTS4KDM1A
SCHEMBL12367198 0.86 HSP90AA1 (0.53) HSP90AA1KMT2AGAAKDM1AMAOA
SCHEMBL3579414 0.86 ADAMTS5 (0.57) MMP2CCKBRADAMTS5ADAMTS4KDM1A
SCHEMBL3587600 0.85 HPGDS (0.48) MMP2CCKBRADAMTS5ADAMTS4KDM1A
SCHEMBL2251870 0.85 HSP90AA1 (0.47) HSP90AA1KMT2AGAAMMP2ADAMTS5
SCHEMBL12356361 0.85 HSP90AA1 (0.47) HSP90AA1KMT2AGAAMMP2ADAMTS5

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
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-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 HSP90AA1 2002/4885KMT2A 2364/4885GAA 257/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSP90AA1 2002/4885KMT2A 2364/4885GAA 257/4885

“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.