SCHEMBL2247683

SCHEMBL2247683

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.58
ADAMTS4 O75173 2/20 0.58
MMP2 P08253 2/20 0.57
MMP8 P22894 1/20 0.57
MMP12 P39900 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.50
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
KDM1A O60341 3/20 0.47
CCKBR P32239 1/20 0.47
CTSL P07711 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
FOLH1 Q04609 2/20 0.47
MTTP P55157 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
SCHEMBL2245074 0.92 ADAMTS5 (0.60) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2247634 0.92 ADAMTS5 (0.54) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2246984 0.90 L3MBTL1 (0.60) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2247076 0.89 ADAMTS5 (0.68) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2252325 0.88 ADAMTS5 (0.53) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2248190 0.87 ADAMTS5 (0.54) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2246542 0.87 TDP1 (0.56) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2248766 0.85 ADAMTS5 (0.53) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2245223 0.85 HPGDS (0.55) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2247378 0.84 ADAMTS5 (0.59) ADAMTS5ADAMTS4MMP2MMP8MMP12

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-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
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 5/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885ADAMTS4 5/4885MMP2 49/4885

“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.