SCHEMBL3584887

SCHEMBL3584887

CCOc1ccc(-c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NCc3ccccc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.69
RAB9A P51151 2/20 0.56
GAA P10253 1/20 0.56
ADAMTS5 Q9UNA0 2/20 0.54
ADAMTS4 O75173 1/20 0.54
KDM1A O60341 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MMP2 P08253 2/20 0.52
MMP8 P22894 1/20 0.52
MMP12 P39900 1/20 0.52
NPC1 O15118 1/20 0.50

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
SCHEMBL3589769 0.92 KLKB1 (0.62) KLKB1ADAMTS5ADAMTS4KDM1AL3MBTL1
SCHEMBL3581707 0.92 KLKB1 (0.59) KLKB1RAB9AADAMTS5ADAMTS4KDM1A
SCHEMBL3587812 0.92 KLKB1 (0.59) KLKB1RAB9AADAMTS5ADAMTS4KDM1A
SCHEMBL3588585 0.91 KLKB1 (0.57) KLKB1ADAMTS5ADAMTS4KDM1AMMP2
SCHEMBL3576509 0.89 ADAMTS5 (0.62) KLKB1ADAMTS5ADAMTS4KDM1AL3MBTL1
SCHEMBL2251666 0.88 NPC1 (0.67) KLKB1RAB9AADAMTS5ADAMTS4MMP2
SCHEMBL3586210 0.87 ADAMTS5 (0.58) KLKB1ADAMTS5ADAMTS4KDM1AMEN1
SCHEMBL3577147 0.87 KLKB1 (0.56) KLKB1RAB9AADAMTS5ADAMTS4KDM1A
SCHEMBL2246982 0.87 KLKB1 (0.54) KLKB1RAB9AADAMTS5ADAMTS4KDM1A
SCHEMBL3580201 0.87 KLKB1 (0.54) KLKB1RAB9AADAMTS5ADAMTS4KDM1A

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 5 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-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 KLKB1 1174/4885RAB9A 3609/4885GAA 257/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KLKB1 1174/4885RAB9A 3609/4885GAA 257/4885

“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.