SCHEMBL2245791

SCHEMBL2245791

CC(C)(Cc1ccc(F)cc1)N(C(=O)c1ccc(-c2ccc(Br)s2)cc1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.40
MMP2 P08253 3/20 0.40
MMP8 P22894 3/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
MMP13 P45452 2/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
TPH1 P17752 2/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL2248436 0.92 MMP12 (0.37) MMP12MMP2MMP8ADAMTS5PDE4B
SCHEMBL2249693 0.91 IKBKB (0.33) MMP12MMP2MMP8ADAMTS5PDE4B
SCHEMBL2253119 0.90 MMP12 (0.40) MMP12MMP2MMP8ADAMTS5PDE4B
SCHEMBL2247339 0.90 MMP12 (0.40) MMP12MMP2MMP8ADAMTS5PDE4B
SCHEMBL2249890 0.88 MMP12 (0.48) MMP12MMP2MMP8ADAMTS5MMP13
SCHEMBL2251633 0.86 MMP2 (0.41) MMP12MMP2MMP8ADAMTS5
SCHEMBL4364281 0.85 MMP12 (0.46) MMP12MMP2MMP8ADAMTS5TPH1
SCHEMBL2242485 0.84 MMP2 (0.45) MMP12MMP2MMP8ADAMTS5MCHR1
SCHEMBL2254232 0.83 MMP12 (0.47) MMP12MMP2MMP8ADAMTS5MMP13
SCHEMBL2246075 0.83 IKBKB (0.39) MMP12MMP2MMP8ADAMTS5HSD17B1

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 54/4885MMP2 49/4885MMP8 70/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP12 54/4885MMP2 49/4885MMP8 70/4885

“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.