SCHEMBL2245223

SCHEMBL2245223

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccc(-c2cccs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
MMP12 P39900 6/20 0.54
MMP2 P08253 5/20 0.54
MMP8 P22894 5/20 0.54
MMP13 P45452 3/20 0.54
MMP10 P09238 2/20 0.54
MMP9 P14780 2/20 0.54
MMP14 P50281 1/20 0.54
ADAMTS5 Q9UNA0 2/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
ADAMTS4 O75173 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
CCKBR P32239 1/20 0.46
FOLH1 Q04609 2/20 0.45
MMP3 P08254 1/20 0.45

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 0.90 ADAMTS5 (0.60) MMP12MMP2MMP8ADAMTS5CTSB
SCHEMBL2246984 0.88 L3MBTL1 (0.60) MMP12MMP2MMP8ADAMTS5CTSB
SCHEMBL3582721 0.87 HPGDS (0.61) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL2243898 0.86 ADAMTS5 (0.53) MMP12MMP2MMP8ADAMTS5ADAMTS4
SCHEMBL2252325 0.86 ADAMTS5 (0.53) MMP12MMP2MMP8MMP13ADAMTS5
SCHEMBL2248084 0.85 HPGDS (0.57) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL2247683 0.85 ADAMTS5 (0.58) MMP12MMP2MMP8ADAMTS5ADAMTS4
SCHEMBL2248190 0.85 ADAMTS5 (0.54) MMP12MMP2MMP8ADAMTS5CTSB
SCHEMBL2247076 0.85 ADAMTS5 (0.68) MMP12MMP2MMP8ADAMTS5ADAMTS4
SCHEMBL2246542 0.85 TDP1 (0.56) MMP12MMP2MMP8ADAMTS5ADAMTS4

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 HPGDS 1417/4885MMP12 54/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HPGDS 1417/4885MMP12 54/4885MMP2 49/4885

“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.