SCHEMBL2248190

SCHEMBL2248190

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.54
ADAMTS4 O75173 2/20 0.54
MMP12 P39900 2/20 0.54
MMP2 P08253 1/20 0.54
MMP8 P22894 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 3/20 0.50
HSP90AA1 P07900 1/20 0.50
HDAC1 Q13547 1/20 0.49
CCKBR P32239 1/20 0.49
FOLH1 Q04609 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MEN1 O00255 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2245074 0.94 ADAMTS5 (0.60) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2246984 0.92 L3MBTL1 (0.60) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2247076 0.89 ADAMTS5 (0.68) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2246542 0.89 TDP1 (0.56) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2246551 0.89 CTSL (0.60) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2252325 0.88 ADAMTS5 (0.53) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2247683 0.87 ADAMTS5 (0.58) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2248766 0.87 ADAMTS5 (0.53) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2247378 0.86 ADAMTS5 (0.59) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2244954 0.86 ADAMTS5 (0.52) ADAMTS5ADAMTS4MMP12MMP2MMP8

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 10 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
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 ADAMTS5 1/4885ADAMTS4 5/4885MMP12 54/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885ADAMTS4 5/4885MMP12 54/4885

“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.