SCHEMBL3584342

SCHEMBL3584342

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccc(OCc3cccc(F)c3)cc2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.54
KLKB1 P03952 2/20 0.53
NR4A2 P43354 1/20 0.51
MMP2 P08253 2/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
DHFR P00374 1/20 0.48
KDM1A O60341 2/20 0.48
GPR34 Q9UPC5 1/20 0.48
MAOB P27338 2/20 0.47
PARP10 Q53GL7 1/20 0.47

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
SCHEMBL3577147 0.93 KLKB1 (0.56) KLKB1MMP2ADAMTS5PRSS1PRSS2
SCHEMBL3588585 0.91 KLKB1 (0.57) KLKB1MMP2MMP8MMP12ADAMTS5
SCHEMBL2246335 0.90 MMP2 (0.58) MMP2MMP8MMP12ADAMTS5KDM1A
SCHEMBL3589180 0.89 CTSB (0.54) KLKB1MMP2ADAMTS5PRSS1PRSS2
SCHEMBL3583723 0.89 KLKB1 (0.54) KLKB1MMP2ADAMTS5DHFRKDM1A
SCHEMBL3584792 0.88 FOLH1 (0.54) KLKB1MMP2MMP8MMP12ADAMTS5
SCHEMBL2246953 0.87 GRM5 (0.57) GRM5NR4A2MMP12DHFRGPR34
SCHEMBL3595965 0.87 KLKB1 (0.53) KLKB1MMP2ADAMTS5DHFRKDM1A
SCHEMBL3583762 0.86 CTSS (0.53) KLKB1MMP2MMP8MMP12ADAMTS5
SCHEMBL3584887 0.84 KLKB1 (0.69) KLKB1MMP2MMP8MMP12ADAMTS5

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 GRM5 20/4885KLKB1 1174/4885NR4A2 3238/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 GRM5 20/4885KLKB1 1174/4885NR4A2 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.