SCHEMBL2248055

SCHEMBL2248055

CC(C)(Cc1ccc(F)cc1)N(C(=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
MMP3 P08254 1/20 0.37
RPA1 P27694 1/20 0.35
ICMT O60725 1/20 0.35
TBXA2R P21731 1/20 0.34
GCG P01275 1/20 0.33
MDM2 Q00987 1/20 0.33
FFAR1 O14842 1/20 0.33
F2 P00734 3/20 0.33
NR1H4 Q96RI1 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
MCHR1 Q99705 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL2248769 0.92 MMP12 (0.44) MMP2MMP8MMP12ADAMTS5TBXA2R
SCHEMBL2242485 0.92 MMP2 (0.45) MMP2MMP8MMP12ADAMTS5TBXA2R
SCHEMBL2249890 0.91 MMP12 (0.48) MMP2MMP8MMP12ADAMTS5FFAR1
SCHEMBL2247681 0.90 MMP12 (0.45) MMP2MMP8MMP12ADAMTS5MMP3
SCHEMBL2247591 0.89 MMP12 (0.42) MMP2MMP8MMP12ADAMTS5FFAR1
SCHEMBL4356632 0.88 MMP12 (0.39) MMP2MMP8MMP12ADAMTS5TBXA2R
SCHEMBL2254232 0.88 MMP12 (0.47) MMP2MMP8MMP12ADAMTS5MMP3
SCHEMBL4364281 0.87 MMP12 (0.46) MMP2MMP8MMP12ADAMTS5FFAR1
SCHEMBL2247710 0.87 ADAMTS5 (0.38) MMP2MMP8MMP12ADAMTS5FFAR1
SCHEMBL2247277 0.86 HSD17B1 (0.37) MMP2MMP8MMP12ADAMTS5MMP3

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.