SCHEMBL2247378

SCHEMBL2247378

COc1ccc(-c2ccc(CCNC(=O)[C@H](CCC(=O)O)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.59
ADAMTS4 O75173 2/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MMP2 P08253 1/20 0.54
MMP8 P22894 1/20 0.54
MMP12 P39900 1/20 0.54
CTSS P25774 5/20 0.53
CTSL P07711 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CTSK P43235 2/20 0.51
KMT2A Q03164 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49

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
SCHEMBL2247765 1.00 ADAMTS5 (0.59) ADAMTS5ADAMTS4NPC1RAB9AMMP2
SCHEMBL2247441 0.92 CTSS (0.52) ADAMTS5ADAMTS4NPC1RAB9AMMP2
SCHEMBL2245074 0.92 ADAMTS5 (0.60) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2251666 0.90 NPC1 (0.67) ADAMTS5ADAMTS4NPC1RAB9AMMP2
SCHEMBL2246984 0.89 L3MBTL1 (0.60) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2247911 0.89 L3MBTL1 (0.52) ADAMTS5ADAMTS4RAB9AMMP2MMP8
SCHEMBL2249101 0.87 SMN1; SMN2 (0.58) ADAMTS5ADAMTS4NPC1RAB9AMMP2
SCHEMBL2248190 0.86 ADAMTS5 (0.54) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2247076 0.86 ADAMTS5 (0.68) ADAMTS5ADAMTS4NPC1RAB9AMMP2
SCHEMBL2246542 0.86 TDP1 (0.56) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 5/4885NPC1 3103/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885ADAMTS4 5/4885NPC1 3103/4885

“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.