SCHEMBL2248048

SCHEMBL2248048

CC(C)(C)c1ccc(CN[C@@H](CCC(N)=O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.47
NR1H4 Q96RI1 7/20 0.47
ACE P12821 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2250167 0.85 L3MBTL1 (0.51) ACEL3MBTL1LMNACA2CA1
SCHEMBL2248045 0.84 NR1H4 (0.50) EPHX2NR1H4LMNARAB9AANPEP
SCHEMBL461571 0.83 KMT2A (0.54) RAB9ACA2CA1ALDH1A1KMT2A
SCHEMBL461572 0.83 KMT2A (0.54) RAB9ACA2CA1ALDH1A1KMT2A
SCHEMBL2253062 0.82 KDM4E (0.45) EPHX2NR1H4ACEL3MBTL1RAB9A
SCHEMBL2252839 0.82 FOLH1 (0.49) ACEL3MBTL1CA2CA1KMT2A
SCHEMBL2247510 0.82 FOLH1 (0.49) LMNACA2CA1ALDH1A1KMT2A
SCHEMBL2242522 0.81 MMP2 (0.48) ACERAB9ACA2ALDH1A1HDAC8
SCHEMBL2248220 0.81 ACE (0.43) ACEL3MBTL1CA2CA1ALDH1A1
SCHEMBL19418979 0.80 EPHX2 (0.50) EPHX2NR1H4ACELMNARAB9A

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 EPHX2 1904/4885NR1H4 2797/4885ACE 248/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 EPHX2 1904/4885NR1H4 2797/4885ACE 248/4885

“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.