SCHEMBL2243828

SCHEMBL2243828

CC(C)(C)c1cc(OCc2ccc(-c3ccc(C(=O)N([C@@H](CCC(=O)O)C(N)=O)C(C)(C)Cc4ccccc4)cc3)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPOR P19235 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 1/20 0.38
NR4A2 P43354 2/20 0.37
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
FFAR1 O14842 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
BCL2 P10415 1/20 0.37
LTC4S Q16873 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MMP12 P39900 1/20 0.36
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL2249360 0.94 BCL2 (0.43) EPORNR4A2PTGESALOX5FFAR1
SCHEMBL2247553 0.94 PSEN1 (0.42) RXRARXRBRXRGNR4A2PTGES
SCHEMBL4622870 0.90 PSEN1 (0.38) RXRARXRBNR4A2PTGESALOX5
SCHEMBL2247955 0.85 LTA4H (0.39) PTGESALOX5FFAR1PARP10AKR1B1
SCHEMBL4623518 0.84 BCL2 (0.43) RXRARXRBNR4A2PTGESALOX5
SCHEMBL4374329 0.84 PSEN1 (0.44) RXRARXRBRXRGNR4A2PTGES
SCHEMBL2251275 0.82 MMP12 (0.40) PTGESALOX5FFAR1MMP12
SCHEMBL2248530 0.81 PDE4A (0.45)
SCHEMBL2249342 0.81 MMP12 (0.43) RXRARXRBRXRGMMP12
SCHEMBL2247535 0.80 MMP12 (0.40) FFAR1MMP12

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 EPOR 4153/4885RXRA 4116/4885RXRB 3621/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 EPOR 4153/4885RXRA 4116/4885RXRB 3621/4885

“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.