SCHEMBL3580201

SCHEMBL3580201

CCOc1ccccc1-c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.54
MMP2 P08253 2/20 0.50
MME P08473 1/20 0.50
ADAMTS5 Q9UNA0 2/20 0.49
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
ADAMTS4 O75173 1/20 0.49
KDM1A O60341 6/20 0.48
MAOA P21397 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
EGFR P00533 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.45
KDM1B Q8NB78 1/20 0.45
CTSB P07858 1/20 0.44

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
SCHEMBL2247531 0.88 ADAMTS5 (0.52) KLKB1MMP2MMEADAMTS5MMP8
SCHEMBL3584887 0.87 KLKB1 (0.69) KLKB1MMP2ADAMTS5MMP8MMP12
SCHEMBL2252056 0.86 ADAMTS5 (0.69) KLKB1MMP2MMEADAMTS5MMP8
SCHEMBL2245702 0.85 MMP12 (0.56) MMP2MMEADAMTS5MMP8MMP12
SCHEMBL3576509 0.84 ADAMTS5 (0.62) KLKB1MMP2ADAMTS5MMP8MMP12
SCHEMBL3589769 0.84 KLKB1 (0.62) KLKB1MMP2ADAMTS5MMP8MMP12
SCHEMBL3586210 0.83 ADAMTS5 (0.58) KLKB1MMP2ADAMTS5MMP8MMP12
SCHEMBL3587812 0.82 KLKB1 (0.59) KLKB1MMP2ADAMTS5MMP8MMP12
SCHEMBL3581707 0.82 KLKB1 (0.59) KLKB1MMP2ADAMTS5MMP8MMP12
SCHEMBL3588838 0.81 FFAR1 (0.53) KLKB1ADAMTS5ADAMTS4KDM1AMAOA

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 1174/4885MMP2 49/4885MME 121/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KLKB1 1174/4885MMP2 49/4885MME 121/4885

“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.