SCHEMBL2246933

SCHEMBL2246933

CCOc1cccc(-c2ccc(C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)[C@@H](CCC(=O)O)C(N)=O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
MAPT P10636 2/20 0.45
HSD17B2 P37059 2/20 0.41
ADAMTS4 O75173 2/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 2/20 0.39
FFAR1 O14842 2/20 0.39
THRB P10828 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
PTGER2 P43116 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
FYN P06241 2/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 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
SCHEMBL2252342 0.93 HSD17B2 (0.48) MAPTHSD17B2ADAMTS4ADAMTS5POLB
SCHEMBL2247385 0.92 PTGES (0.44) MAPTHSD17B2ADAMTS4ADAMTS5POLB
SCHEMBL2247817 0.91 HSD17B2 (0.42) HSD17B2ADAMTS4ADAMTS5POLBTP53
SCHEMBL2254262 0.91 HSD17B2 (0.47) HSD17B2FFAR1PTGESALOX5F10
SCHEMBL2251692 0.90 ADAMTS4 (0.47) MAPTADAMTS4ADAMTS5POLBTP53
SCHEMBL2244812 0.88 HSD17B2 (0.43) MAPTHSD17B2ADAMTS4ADAMTS5POLB
SCHEMBL2251182 0.87 POLB (0.46) MAPTADAMTS4ADAMTS5POLBTP53
SCHEMBL2247652 0.87 ADAMTS4 (0.41) MAPTADAMTS4ADAMTS5POLBTP53
SCHEMBL2249355 0.87 RXRA (0.42) RXRARXRBMAPTHSD17B2ADAMTS4
SCHEMBL2254244 0.86 ADAMTS4 (0.41) MAPTADAMTS4ADAMTS5POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 3621/4885MAPT 1544/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 RXRA 4116/4885RXRB 3621/4885MAPT 1544/4885

“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.