SCHEMBL2247385

SCHEMBL2247385

COc1cc(CN(C(=O)c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)[C@@H](CCC(=O)O)C(N)=O)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
LTC4S Q16873 1/20 0.44
HSD17B2 P37059 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
ERN1 O75460 1/20 0.41
ADAMTS4 O75173 2/20 0.41
ADAMTS5 Q9UNA0 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCHE P06276 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
FFAR1 O14842 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
EPOR P19235 1/20 0.39

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
SCHEMBL2254262 0.95 HSD17B2 (0.47) PTGESALOX5LTC4SHSD17B2MRGPRX4
SCHEMBL2247817 0.94 HSD17B2 (0.42) PTGESALOX5LTC4SHSD17B2FFAR4
SCHEMBL2246933 0.92 RXRA (0.45) PTGESALOX5HSD17B2FFAR4ADAMTS4
SCHEMBL2252342 0.92 HSD17B2 (0.48) PTGESALOX5HSD17B2FFAR4ADAMTS4
SCHEMBL2247771 0.91 SLC2A1 (0.43) PTGESALOX5HSD17B2MRGPRX4POLB
SCHEMBL2251692 0.90 ADAMTS4 (0.47) ADAMTS4ADAMTS5MEN1KMT2APOLB
SCHEMBL2244812 0.88 HSD17B2 (0.43) HSD17B2ADAMTS4ADAMTS5MEN1KMT2A
SCHEMBL2253174 0.86 POLB (0.41) ADAMTS4ADAMTS5MEN1KMT2APOLB
SCHEMBL2247652 0.86 ADAMTS4 (0.41) ADAMTS4ADAMTS5MEN1KMT2APOLB
SCHEMBL2251182 0.86 POLB (0.46) ADAMTS4ADAMTS5MEN1KMT2APOLB

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 PTGES 1681/4885ALOX5 1774/4885LTC4S 2094/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PTGES 1681/4885ALOX5 1774/4885LTC4S 2094/4885

“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.