SCHEMBL2244069

SCHEMBL2244069

CC(C)(C)OC(=O)CCC(NC(=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
P2RY12 Q9H244 4/20 0.42
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.40
MMP2 P08253 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CTSB P07858 1/20 0.39
OGG1 O15527 1/20 0.39

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
SCHEMBL12356372 1.00 ALDH1A1 (0.46) ALDH1A1MAPTP2RY12KMT2AHSP90AA1
SCHEMBL9087240 0.88 P2RY12 (0.42) ALDH1A1P2RY12L3MBTL1ADAMTS4ADAMTS5
SCHEMBL9556410 0.88 P2RY12 (0.42) ALDH1A1P2RY12L3MBTL1ADAMTS4ADAMTS5
SCHEMBL9087244 0.88 P2RY12 (0.42) ALDH1A1P2RY12L3MBTL1ADAMTS4ADAMTS5
SCHEMBL9088792 0.85 P2RY12 (0.43) P2RY12L3MBTL1MMP2ADAMTS5
SCHEMBL9088784 0.85 P2RY12 (0.43) P2RY12L3MBTL1MMP2ADAMTS5
SCHEMBL27708443 0.85 GRN (0.44) ALDH1A1MAPTP2RY12KMT2AL3MBTL1
SCHEMBL9556190 0.84 P2RY12 (0.41) ALDH1A1MAPTP2RY12L3MBTL1ATM
SCHEMBL2247466 0.84 ADAMTS5 (0.44) P2RY12MMP2ADAMTS4ADAMTS5
SCHEMBL9556181 0.84 P2RY12 (0.41) ALDH1A1MAPTP2RY12L3MBTL1ATM

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 ALDH1A1 991/4885MAPT 1544/4885P2RY12 3399/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ALDH1A1 991/4885MAPT 1544/4885P2RY12 3399/4885

“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.