SCHEMBL3584344

SCHEMBL3584344

NC(=O)CC[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ccc(-c2ccc(OCc3cccc(F)c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.53
PARP10 Q53GL7 1/20 0.53
NR4A2 P43354 2/20 0.51
MMP13 P45452 2/20 0.47
ADAMTS4 O75173 1/20 0.47
MAOA P21397 2/20 0.45
GPR34 Q9UPC5 1/20 0.44
SCN9A Q15858 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
GRM5 P41594 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL3577149 0.92 FFAR1 (0.48) PARP10NR4A2PTGESALOX5
SCHEMBL3588588 0.91 ALOX5 (0.52) MAOBPARP10NR4A2MMP13ADAMTS4
SCHEMBL3589183 0.89 PARP15 (0.53) MAOBPARP10MMP13ADAMTS4MAOA
SCHEMBL3595967 0.86 HSD17B2 (0.50) NR4A2PTGESALOX5
SCHEMBL3588841 0.83 FFAR1 (0.47) PTGESALOX5
SCHEMBL3589161 0.80 HSD17B2 (0.45) PTGESALOX5
SCHEMBL3584964 0.80 F7 (0.44) PTGESALOX5
SCHEMBL3591193 0.79 ADAMTS4 (0.41) ADAMTS4PTGESMMP2MMP9
SCHEMBL2246956 0.78 GRM5 (0.57) MAOBPARP10NR4A2MMP13ADAMTS4
SCHEMBL4649130 0.77 MMP2 (0.40) PTGESALOX5MMP2MMP9

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 9 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-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 MAOB 2020/4885PARP10 1677/4885NR4A2 3238/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MAOB 2020/4885PARP10 1677/4885NR4A2 3238/4885

“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.