SCHEMBL2247361

SCHEMBL2247361

CC(C)(Cc1ccc(F)cc1)N[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.55
MMP8 P22894 1/20 0.55
MMP12 P39900 1/20 0.55
ADAMTS5 Q9UNA0 1/20 0.55
FOLH1 Q04609 13/20 0.47
HTT P42858 1/20 0.40
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL2254023 1.00 MMP2 (0.55) MMP2MMP8MMP12ADAMTS5FOLH1
SCHEMBL2246516 1.00 MMP2 (0.55) MMP2MMP8MMP12ADAMTS5FOLH1
SCHEMBL2247125 0.88 MMP8 (0.47) MMP2MMP8MMP12ADAMTS5FOLH1
SCHEMBL2246745 0.87 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5FOLH1
SCHEMBL2254027 0.85 MMP2 (0.47) MMP2MMP8MMP12ADAMTS5FOLH1
SCHEMBL2246519 0.85 MMP2 (0.47) MMP2MMP8MMP12ADAMTS5FOLH1
SCHEMBL8222718 0.78 MMP2 (0.59) MMP2MMP8MMP12ADAMTS5FOLH1
SCHEMBL2247506 0.77 FOLH1 (0.52) MMP2MMP8MMP12ADAMTS5FOLH1
SCHEMBL7317663 0.76 MAPK1 (0.44) MMP2MMP8MMP12ADAMTS5HTT
SCHEMBL2248684 0.75 FOLH1 (0.47) MMP2MMP8MMP12FOLH1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.