SCHEMBL3579193

SCHEMBL3579193

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccco2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.50
ADAMTS4 O75173 1/20 0.50
KDM1A O60341 4/20 0.48
MAOA P21397 1/20 0.48
MMP2 P08253 2/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
CCKBR P32239 1/20 0.47
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FOLH1 Q04609 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 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
SCHEMBL3576509 0.88 ADAMTS5 (0.62) ADAMTS5ADAMTS4KDM1AMAOAMMP2
SCHEMBL3579195 0.86 MEN1 (0.53) ADAMTS5ADAMTS4KDM1AMAOAMMP2
SCHEMBL2245712 0.85 ADAMTS5 (0.56) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL3579414 0.84 ADAMTS5 (0.57) ADAMTS5ADAMTS4KDM1AMAOAMMP2
SCHEMBL3578207 0.83 MMP2 (0.46) MMP2KDM4EMEN1ALDH1A1MAPT
SCHEMBL2247866 0.83 ADAMTS5 (0.56) ADAMTS5ADAMTS4KDM1AMAOAMMP2
SCHEMBL2247526 0.82 MMP12 (0.58) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2247747 0.82 KDM1A (0.53) ADAMTS5ADAMTS4KDM1AMAOAMMP2
SCHEMBL3586210 0.82 ADAMTS5 (0.58) ADAMTS5ADAMTS4KDM1AMAOAMMP2
SCHEMBL3583565 0.82 ROCK1 (0.64) ADAMTS5ADAMTS4KDM1AMAOAMMP2

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-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 ADAMTS5 1/4885ADAMTS4 5/4885KDM1A 634/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885ADAMTS4 5/4885KDM1A 634/4885

“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.