SCHEMBL3591190

SCHEMBL3591190

O=C(O)CC[C@H](NC(=O)c1ccc(-c2cccc(CO)c2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.55
CTSS P25774 3/20 0.55
CTSK P43235 3/20 0.55
CTSL P07711 2/20 0.55
ADAMTS5 Q9UNA0 2/20 0.53
ADAMTS4 O75173 1/20 0.53
KDM1A O60341 3/20 0.52
MMP2 P08253 2/20 0.52
MAOA P21397 1/20 0.52
PADI6 Q6TGC4 1/20 0.52
EGFR P00533 2/20 0.51
MMP12 P39900 2/20 0.51
MMP8 P22894 1/20 0.51
CCKBR P32239 1/20 0.49
KLKB1 P03952 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGDS O60760 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
SCHEMBL3576509 0.91 ADAMTS5 (0.62) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL3583969 0.88 PADI6 (0.64) MMP2PADI6CCKBRHPGDS
SCHEMBL3584960 0.87 CTSL (0.55) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL3577147 0.87 KLKB1 (0.56) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL3579414 0.87 ADAMTS5 (0.57) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL2245982 0.87 KDM1A (0.58) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL2245709 0.86 CTSS (0.54) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL2247866 0.86 ADAMTS5 (0.56) CTSBCTSSCTSKADAMTS5ADAMTS4
SCHEMBL2245471 0.85 MMP2 (0.69) CTSBCTSSCTSKCTSLADAMTS5
SCHEMBL3583743 0.85 ADAMTS5 (0.56) CTSBCTSSCTSKCTSLADAMTS5

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 7 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
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 CTSB 192/4885CTSS 264/4885CTSK 297/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CTSB 192/4885CTSS 264/4885CTSK 297/4885

“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.