SCHEMBL2247909

SCHEMBL2247909

CCOc1cccc(-c2ccc(C(=O)N([C@@H](CCC(=O)O)C(N)=O)C(C)(C)Cc3ccc(F)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
SLC13A5 Q86YT5 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
FFAR1 O14842 4/20 0.40
MAPT P10636 1/20 0.39
PPARD Q03181 3/20 0.37
FFAR4 Q5NUL3 1/20 0.36
PTGER2 P43116 1/20 0.36
NR3C1 P04150 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ICMT O60725 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
PTGS2 P35354 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
SCHEMBL2254232 0.89 MMP12 (0.47) MMP2MMP8MMP12ADAMTS5FFAR1
SCHEMBL2249890 0.87 MMP12 (0.48) MMP2MMP8MMP12ADAMTS5FFAR1
SCHEMBL2247681 0.87 MMP12 (0.45) MMP2MMP8MMP12ADAMTS5FFAR1
SCHEMBL2248769 0.85 MMP12 (0.44) MMP2MMP8MMP12ADAMTS5LTB4R2
SCHEMBL4364281 0.84 MMP12 (0.46) MMP2MMP8MMP12ADAMTS5FFAR1
SCHEMBL2249759 0.83 RXRA (0.47) RXRARXRBMMP2SLC13A5MRGPRX4
SCHEMBL2247591 0.83 MMP12 (0.42) MMP2MMP8MMP12ADAMTS5FFAR1
SCHEMBL2242485 0.83 MMP2 (0.45) MMP2MMP8MMP12ADAMTS5
SCHEMBL2248055 0.82 MMP2 (0.42) MMP2MMP8MMP12ADAMTS5FFAR1
SCHEMBL2247786 0.82 HSD17B2 (0.46) MMP2MMP8MMP12ADAMTS5SLC13A5

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 RXRA 4116/4885RXRB 3621/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 RXRA 4116/4885RXRB 3621/4885MMP2 49/4885

“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.