SCHEMBL2249357

SCHEMBL2249357

CC(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
ADAMTS5 Q9UNA0 2/20 0.63
ADAMTS4 O75173 1/20 0.63
CTSB P07858 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MMP2 P08253 1/20 0.56
MMP8 P22894 1/20 0.56
MMP12 P39900 1/20 0.56
CCKBR P32239 1/20 0.52
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51

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
SCHEMBL2245265 0.89 L3MBTL1 (0.72) NPC1RAB9AADAMTS5ADAMTS4L3MBTL1
SCHEMBL2247413 0.88 ADAMTS5 (0.60) NPC1RAB9ASMN1; SMN2ADAMTS5ADAMTS4
SCHEMBL4648652 0.88 ADAMTS5 (0.63) RAB9ASMN1; SMN2ADAMTS5ADAMTS4CTSB
SCHEMBL2250363 0.87 L3MBTL1 (0.62) NPC1RAB9AADAMTS5ADAMTS4L3MBTL1
SCHEMBL2247366 0.87 ADAMTS5 (0.61) NPC1RAB9AADAMTS5ADAMTS4CTSB
SCHEMBL2244204 0.86 L3MBTL1 (0.61) NPC1RAB9AADAMTS5ADAMTS4L3MBTL1
SCHEMBL2246740 0.86 CCKBR (0.70) ADAMTS5ADAMTS4L3MBTL1MMP2MMP8
SCHEMBL2245074 0.85 ADAMTS5 (0.60) ADAMTS5ADAMTS4CTSBL3MBTL1MMP2
SCHEMBL2246984 0.85 L3MBTL1 (0.60) ADAMTS5ADAMTS4CTSBL3MBTL1MMP2
SCHEMBL2248195 0.85 ADAMTS5 (0.57) ADAMTS5ADAMTS4L3MBTL1MMP2MMP8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 3103/4885RAB9A 3609/4885SMN1; SMN2 2624/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 NPC1 3103/4885RAB9A 3609/4885SMN1; SMN2 2624/4885

“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.