SCHEMBL8242593

SCHEMBL8242593

CCOC(=O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP26A1 O43174 1/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
P2RY12 Q9H244 2/20 0.52
NOD2 Q9HC29 2/20 0.51
ADAMTS4 O75173 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.50
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL2251586 1.00 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6313152 0.93 L3MBTL1 (0.61) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3706987 0.93 L3MBTL1 (0.61) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8237481 0.92 RAB9A (0.54) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27584197 0.92 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16509378 0.88 L3MBTL1 (0.61) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11631574 0.87 L3MBTL1 (0.67) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11631569 0.87 L3MBTL1 (0.67) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9383025 0.86 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1143549 0.86 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 L3MBTL1 4308/4885KDM4E 1232/4885ALDH1A1 991/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 L3MBTL1 4308/4885KDM4E 1232/4885ALDH1A1 991/4885

“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.