SCHEMBL2248272

SCHEMBL2248272

COc1cccc(CN[C@@H](CCC(=O)O)C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MEP1B Q16820 2/20 0.51
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP13 P45452 1/20 0.48
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL288927 0.90 MEP1B (0.56) MEN1KMT2AMEP1BCYP1A2ALDH1A1
SCHEMBL288928 0.90 MEP1B (0.56) MEN1KMT2AMEP1BCYP1A2ALDH1A1
SCHEMBL2249530 0.88 HDAC1 (0.49) MEN1KMT2ACYP1A2ALDH1A1POLB
SCHEMBL2247290 0.87 TACR1 (0.43) MEN1KMT2AMEP1BKDM4E
SCHEMBL2248276 0.85 MEN1 (0.51) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL2245669 0.85 MAPK14 (0.49) MEP1B
SCHEMBL2242517 0.85 FFAR1 (0.51) ALDH1A1
SCHEMBL2249535 0.84 MEP1B (0.54) MEP1BALDH1A1MMP13POLBHPGD
SCHEMBL2249856 0.82 ALDH1A1 (0.52) MEN1KMT2AMEP1BALDH1A1SMN1; SMN2
SCHEMBL2251929 0.81 MEP1B (0.52) MEP1BMMP13

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 4 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

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 MEN1 2734/4885KMT2A 2364/4885MEP1B 2803/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MEN1 2734/4885KMT2A 2364/4885MEP1B 2803/4885

“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.