SCHEMBL2247181

SCHEMBL2247181

CC(C)(Cc1ccc(Cl)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1cccc(-c2cccs2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.57
MMP8 P22894 2/20 0.57
MMP12 P39900 2/20 0.57
ADAMTS5 Q9UNA0 2/20 0.57
CCKBR P32239 1/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2A P28223 1/20 0.49
MMP10 P09238 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ADAMTS4 O75173 1/20 0.46

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
SCHEMBL2247091 0.94 MMP12 (0.65) MMP2MMP8MMP12ADAMTS5CCKBR
SCHEMBL2244910 0.93 MMP12 (0.60) MMP2MMP8MMP12ADAMTS5CCKBR
SCHEMBL2244911 0.88 ADAMTS5 (0.57) MMP2MMP8MMP12ADAMTS5CCKBR
SCHEMBL2246572 0.86 MMP12 (0.69) MMP2MMP8MMP12ADAMTS5CCKBR
SCHEMBL2251475 0.85 MMP12 (0.79) MMP2MMP8MMP12ADAMTS5CCKBR
SCHEMBL2247514 0.82 ADAMTS5 (0.81) MMP2MMP8MMP12ADAMTS5CCKBR
SCHEMBL2247165 0.80 ADAMTS5 (0.64) MMP2MMP8MMP12ADAMTS5CCKBR
SCHEMBL2249785 0.80 ADAMTS5 (0.58) MMP2MMP8MMP12ADAMTS5CCKBR
SCHEMBL2249821 0.79 ADAMTS5 (0.57) MMP2MMP8MMP12ADAMTS5CCKBR
SCHEMBL2243910 0.79 ADAMTS5 (0.56) MMP2MMP8MMP12ADAMTS5CCKBR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 MMP2 49/4885MMP8 70/4885MMP12 54/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885MMP8 70/4885MMP12 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.