SCHEMBL2247553

SCHEMBL2247553

CC(C)(Cc1ccccc1)N(C(=O)c1ccc(-c2ccc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
FFAR1 O14842 6/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
MAOB P27338 2/20 0.38
GPR34 Q9UPC5 1/20 0.37
SLC2A1 P11166 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
BCL2 P10415 1/20 0.36
NR4A2 P43354 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL2243828 0.94 EPOR (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4374329 0.90 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2249360 0.89 BCL2 (0.43) FFAR1MAOBPTGESALOX5BCL2
SCHEMBL4622870 0.84 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2247955 0.84 LTA4H (0.39) FFAR1FFAR4PTGESALOX5
SCHEMBL2249342 0.81 MMP12 (0.43) RXRARXRBRXRG
SCHEMBL2251275 0.81 MMP12 (0.40) FFAR1PTGESALOX5
SCHEMBL2247535 0.80 MMP12 (0.40) FFAR1
SCHEMBL2253026 0.80 FFAR1 (0.40) FFAR1FFAR4MAOBSLC2A1NR4A2
SCHEMBL2249890 0.80 MMP12 (0.48) FFAR1

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 PSEN1 883/4885PSEN2 919/4885APH1B 690/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PSEN1 883/4885PSEN2 919/4885APH1B 690/4885

“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.