SCHEMBL2247345

SCHEMBL2247345

COC(=O)CCC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.53
ADAMTS4 O75173 1/20 0.53
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
MMP12 P39900 2/20 0.47
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
CYP26A1 O43174 1/20 0.46
P2RY12 Q9H244 3/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGDS O60760 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
USP30 Q70CQ3 1/20 0.43
CTSB P07858 2/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4429641 0.90 C3AR1 (0.45) ADAMTS5ADAMTS4P2RY12ALDH1A1CYP3A4
SCHEMBL2245716 0.87 PTPN1 (0.49) ADAMTS5ADAMTS4RAB9ANPC1P2RY12
SCHEMBL8243432 0.85 NPC1 (0.55) ADAMTS5ADAMTS4RAB9ANPC1MMP12
SCHEMBL2249325 0.85 NPC1 (0.55) ADAMTS5ADAMTS4RAB9ANPC1MMP12
SCHEMBL12356373 0.85 ADAMTS5 (0.44) ADAMTS5ADAMTS4RAB9ANPC1MMP12
SCHEMBL2247466 0.85 ADAMTS5 (0.44) ADAMTS5ADAMTS4RAB9ANPC1MMP12
SCHEMBL2247745 0.83 NPC1 (0.47) ADAMTS5ADAMTS4RAB9ANPC1MMP12
SCHEMBL27660162 0.82 ALOX5 (0.52) RAB9ACYP26A1ALDH1A1L3MBTL1
SCHEMBL27660160 0.82 ALOX5 (0.52) RAB9ACYP26A1ALDH1A1L3MBTL1
SCHEMBL2245063 0.82 NPR3 (0.44) ADAMTS5ADAMTS4P2RY12ALDH1A1CYP3A4

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-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
CN-101223130-A Glutamate aggrecanase inhibitors WYETH CORP (US) 2008-07-16 CN 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 5/4885RAB9A 3609/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885ADAMTS4 5/4885RAB9A 3609/4885

“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.