SCHEMBL2245203

SCHEMBL2245203

CC(C)(Cc1ccc(Cl)cc1)N[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.38
MMP8 P22894 2/20 0.38
MMP12 P39900 2/20 0.38
MMP3 P08254 1/20 0.38
MMP10 P09238 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
C3AR1 Q16581 1/20 0.37
MME P08473 7/20 0.37
ACE P12821 5/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
MMEL1 Q495T6 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
GRM5 P41594 1/20 0.36
SHMT1 P34896 1/20 0.36
SHMT2 P34897 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL2247684 0.94 MMP2 (0.45) MMP2MMP8MMP12MMP3MMP10
SCHEMBL2247715 0.94 CYP3A4 (0.39) MMP2MMP8MMP12ADAMTS5MEN1
SCHEMBL2242489 0.89 MMP2 (0.46) MMP2MMP8MMP12ADAMTS5MEN1
SCHEMBL2254236 0.86 MMP2 (0.47) MMP2MMP8MMP12MMP3MME
SCHEMBL2248057 0.85 MMP2 (0.43) MMP2MMP8MMP12MMP3C3AR1
SCHEMBL2249695 0.85 FNTA (0.35) MMP2MMP8MMP12ADAMTS5MEN1
SCHEMBL2249892 0.84 MMP2 (0.49) MMP2MMP8MMP12MMP9ADAMTS5
SCHEMBL2248771 0.84 MMP2 (0.44) MMP2MMP8MMP12ADAMTS5MAPT
SCHEMBL2247537 0.84 MMP2 (0.42) MMP2MMP8MMP12MMP9ADAMTS5
SCHEMBL2254353 0.84 IKBKB (0.40) C3AR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
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.