SCHEMBL2247786

SCHEMBL2247786

COc1cccc(-c2ccc(C(=O)N([C@@H](CCC(N)=O)C(=O)O)C(C)(C)Cc3ccc(F)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.46
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
TPH1 P17752 4/20 0.39
TPH2 Q8IWU9 2/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
SLC13A5 Q86YT5 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
MME P08473 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
FFAR1 O14842 4/20 0.37
MAOB P27338 1/20 0.36
GNA15 P30679 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2244933 0.93 HSD17B2 (0.51) HSD17B2PTGESALOX5TPH1SLC13A5
SCHEMBL2246904 0.89 MAPT (0.40) HSD17B2TPH1TPH2
SCHEMBL2245312 0.89 HSD17B1 (0.43) HSD17B2MMP2MMP8MMP12ADAMTS5
SCHEMBL2248091 0.89 HSD17B2 (0.41) HSD17B2MMP2MMP8MMP12ADAMTS5
SCHEMBL2244705 0.87 RXRA (0.42) MMP2MMP8MMP12ADAMTS5
SCHEMBL2245193 0.87 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5MEN1
SCHEMBL2254228 0.86 HSD17B2 (0.49) HSD17B2
SCHEMBL2244641 0.86 MMP2 (0.38) HSD17B2MMP2MMP8MMP12ADAMTS5
SCHEMBL2244683 0.86 SPHK2 (0.43) HSD17B2PTGESALOX5MRGPRX4FFAR1
SCHEMBL2247913 0.85 MMP2 (0.39) TPH1MMP2MMP8MMP12ADAMTS5

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
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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 HSD17B2 2502/4885PTGES 1681/4885ALOX5 1774/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD17B2 2502/4885PTGES 1681/4885ALOX5 1774/4885

“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.