SCHEMBL2247110

SCHEMBL2247110

COc1cccc(-c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C)(C)Cc3ccc(Cl)cc3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
HSD17B2 P37059 5/20 0.44
CNR1 P21554 1/20 0.44
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKACA P17612 1/20 0.43
GRK5 P34947 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK8 P49336 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PRKX P51817 1/20 0.43
PRKCQ Q04759 1/20 0.43
ACVR1 Q04771 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL2247762 0.93 ADAMTS5 (0.52) MMP2MMP8MMP12ADAMTS5HSD17B2
SCHEMBL2254224 0.92 ADAMTS5 (0.60) MMP2MMP8MMP12ADAMTS5HSD17B2
SCHEMBL2249785 0.92 ADAMTS5 (0.58) MMP2MMP8MMP12ADAMTS5C3AR1
SCHEMBL2243910 0.91 ADAMTS5 (0.56) MMP2MMP8MMP12ADAMTS5C3AR1
SCHEMBL2247372 0.86 ADAMTS5 (0.64) MMP2MMP8MMP12ADAMTS5C3AR1
SCHEMBL2247376 0.86 ADAMTS5 (0.50) MMP2MMP8MMP12ADAMTS5CHEK1
SCHEMBL2249299 0.85 ADAMTS5 (0.51) MMP2MMP8MMP12ADAMTS5CNR1
SCHEMBL2247435 0.85 ADAMTS5 (0.60) MMP2MMP8MMP12ADAMTS5C3AR1
SCHEMBL2247404 0.83 ADAMTS5 (0.71) MMP2MMP8MMP12ADAMTS5MEN1
SCHEMBL2249511 0.82 ADAMTS5 (0.69) MMP2MMP8MMP12ADAMTS5MEN1

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.