SCHEMBL2248045

SCHEMBL2248045

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.50
EPHX2 P34913 7/20 0.50
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
EPHX1 P07099 6/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN1 P18031 1/20 0.42
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 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
SCHEMBL2250165 0.85 FFAR1 (0.48) LMNA
SCHEMBL2248048 0.84 EPHX2 (0.47) NR1H4EPHX2HDAC3HDAC8HDAC6
SCHEMBL2251929 0.83 MEP1B (0.52) ERAP2
SCHEMBL2247506 0.82 FOLH1 (0.52) LMNA
SCHEMBL2252834 0.82 FOLH1 (0.52)
SCHEMBL2248216 0.81 HDAC1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2253057 0.81 KDM4E (0.44) NR1H4EPHX2RAB9A
SCHEMBL2242517 0.81 FFAR1 (0.51) HDAC8EPHX1RAB9A
SCHEMBL2247717 0.78 MEP1B (0.46) NR1H4PTPN1
SCHEMBL2252889 0.78 EPHX1 (0.46) NR1H4EPHX2HDAC3HDAC4HDAC1

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 NR1H4 2797/4885EPHX2 1904/4885HDAC3 212/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 NR1H4 2797/4885EPHX2 1904/4885HDAC3 212/4885

“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.