SCHEMBL2246572

SCHEMBL2246572

CC(C)(Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.69
ADAMTS5 Q9UNA0 2/20 0.69
MMP2 P08253 2/20 0.69
MMP8 P22894 2/20 0.69
ADAMTS4 O75173 1/20 0.59
HPGDS O60760 3/20 0.57
MMP10 P09238 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
HTR2A P28223 1/20 0.43
CHRM4 P08173 1/20 0.42
CTSL P07711 1/20 0.41
CCKBR P32239 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL2244910 0.93 MMP12 (0.60) MMP12ADAMTS5MMP2MMP8ADAMTS4
SCHEMBL2247091 0.93 MMP12 (0.65) MMP12ADAMTS5MMP2MMP8ADAMTS4
SCHEMBL2251475 0.93 MMP12 (0.79) MMP12ADAMTS5MMP2MMP8ADAMTS4
SCHEMBL2245862 0.89 ADAMTS5 (0.86) MMP12ADAMTS5MMP2MMP8ADAMTS4
SCHEMBL2242407 0.89 ADAMTS5 (0.86) MMP12ADAMTS5MMP2MMP8ADAMTS4
SCHEMBL2247181 0.86 MMP2 (0.57) MMP12ADAMTS5MMP2MMP8ADAMTS4
SCHEMBL2244925 0.85 ADAMTS5 (0.79) MMP12ADAMTS5MMP2MMP8ADAMTS4
SCHEMBL2245160 0.85 ADAMTS5 (0.79) MMP12ADAMTS5MMP2MMP8ADAMTS4
SCHEMBL2247344 0.85 ADAMTS5 (0.67) MMP12ADAMTS5MMP2MMP8ADAMTS4
SCHEMBL2247314 0.84 ADAMTS5 (0.81) MMP12ADAMTS5MMP2MMP8ADAMTS4

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 MMP12 54/4885ADAMTS5 1/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP12 54/4885ADAMTS5 1/4885MMP2 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.