SCHEMBL2250698

SCHEMBL2250698

Cc1cccc(CN[C@@H](CCC(N)=O)C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
CD274 Q9NZQ7 8/20 0.41
PDCD1 Q15116 6/20 0.41
PYGL P06737 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2249746 0.89 KDM4E (0.48) L3MBTL1KMT2AMMP2MMP9PYGL
SCHEMBL2250693 0.84 HPGDS (0.42) MMP2CD274PDCD1KDM4CCA1
SCHEMBL10889781 0.82 PDCD1 (0.44) L3MBTL1CD274PDCD1KDM4CFNTA
SCHEMBL29213421 0.82 PDCD1 (0.41) L3MBTL1CD274PDCD1PYGLKDM4C
SCHEMBL29213425 0.82 PDCD1 (0.41) L3MBTL1CD274PDCD1PYGLKDM4C
SCHEMBL12389068 0.80 KMT2A (0.49) L3MBTL1KMT2AMMP2MMP9CA2
SCHEMBL8545079 0.79 L3MBTL1 (0.56) L3MBTL1KMT2AMMP2MMP9CD274
SCHEMBL2245801 0.79 FOLH1 (0.53) KMT2AMMP2MMP9FNTAFNTB
SCHEMBL2252963 0.78 FOLH1 (0.51) KMT2AMMP2MMP9CA2CA1
SCHEMBL13402410 0.78 KDM4E (0.45) L3MBTL1KMT2AMMP2MMP9CA2

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 L3MBTL1 4308/4885KMT2A 2364/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 L3MBTL1 4308/4885KMT2A 2364/4885MMP2 49/4885

“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.