SCHEMBL3581707

SCHEMBL3581707

CCCOc1ccc(-c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NCc3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.59
KDM1A O60341 7/20 0.56
ADAMTS5 Q9UNA0 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADAMTS4 O75173 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP2 P08253 2/20 0.50
MMP8 P22894 1/20 0.50
MMP12 P39900 1/20 0.50
KDM1B Q8NB78 1/20 0.49
MAOA P21397 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL3587812 0.96 KLKB1 (0.59) KLKB1KDM1AADAMTS5L3MBTL1ADAMTS4
SCHEMBL3584887 0.92 KLKB1 (0.69) KLKB1KDM1AADAMTS5L3MBTL1ADAMTS4
SCHEMBL3588585 0.89 KLKB1 (0.57) KLKB1KDM1AADAMTS5ADAMTS4NFKB1
SCHEMBL3576509 0.87 ADAMTS5 (0.62) KLKB1KDM1AADAMTS5L3MBTL1ADAMTS4
SCHEMBL2251666 0.86 NPC1 (0.67) KLKB1ADAMTS5ADAMTS4NPC1RAB9A
SCHEMBL3586210 0.86 ADAMTS5 (0.58) KLKB1KDM1AADAMTS5L3MBTL1ADAMTS4
SCHEMBL3577147 0.85 KLKB1 (0.56) KLKB1KDM1AADAMTS5ADAMTS4NPC1
SCHEMBL2246982 0.85 KLKB1 (0.54) KLKB1KDM1AADAMTS5L3MBTL1ADAMTS4
SCHEMBL2244081 0.85 ADAMTS5 (0.54) KLKB1KDM1AADAMTS5ADAMTS4NPC1
SCHEMBL3589769 0.85 KLKB1 (0.62) KLKB1KDM1AADAMTS5L3MBTL1ADAMTS4

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 1174/4885KDM1A 634/4885ADAMTS5 1/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KLKB1 1174/4885KDM1A 634/4885ADAMTS5 1/4885

“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.