SCHEMBL2248057

SCHEMBL2248057

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
MMP3 P08254 1/20 0.36
ICMT O60725 3/20 0.35
MDM2 Q00987 1/20 0.34
CETP P11597 1/20 0.33
CASR P41180 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
C3AR1 Q16581 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2248771 0.92 MMP2 (0.44) MMP2MMP8MMP12ADAMTS5CETP
SCHEMBL2242489 0.92 MMP2 (0.46) MMP2MMP8MMP12ADAMTS5MDM2
SCHEMBL2247684 0.92 MMP2 (0.45) MMP2MMP8MMP12ADAMTS5MMP3
SCHEMBL2249892 0.91 MMP2 (0.49) MMP2MMP8MMP12ADAMTS5CETP
SCHEMBL2247595 0.89 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5CETP
SCHEMBL2254236 0.89 MMP2 (0.47) MMP2MMP8MMP12ADAMTS5MMP3
SCHEMBL2247715 0.87 CYP3A4 (0.39) MMP2MMP8MMP12ADAMTS5CA1
SCHEMBL2247280 0.87 MMP2 (0.35) MMP2MMP8MMP12ADAMTS5MMP3
SCHEMBL2245203 0.85 MMP2 (0.38) MMP2MMP8MMP12ADAMTS5MMP3
SCHEMBL2247537 0.85 MMP2 (0.42) MMP2MMP8MMP12ADAMTS5CASR

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.