SCHEMBL6477547

SCHEMBL6477547

CC1=C2NC(C(=O)O)=NN2C(=O)C(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.43
GAA P10253 1/20 0.41
TDP2 O95551 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6813861 0.90 CES2 (0.36) CES2GAATDP2NPSR1KDM4E
SCHEMBL6488759 0.78 CES2 (0.43) CES2KDM4ERAB9AL3MBTL1
SCHEMBL8343767 0.65 CES2 (0.39) CES2GAATDP2NPSR1PPARG
SCHEMBL6477074 0.65 CES2 (0.33) CES2TDP2L3MBTL1
SCHEMBL6289358 0.64 CES2 (0.38) CES2GAATDP2NPSR1PPARG
SCHEMBL6477887 0.63 CES2 (0.42) CES2GAATDP2NPSR1KDM4E
SCHEMBL31424239 0.59 ALDH1A1 (0.62) CES2GAAKDM4EL3MBTL1
SCHEMBL8344423 0.59 GAA (0.41) CES2GAAPPARGL3MBTL1
SCHEMBL30020109 0.58 GAA (0.54) CES2GAANPSR1KDM4EL3MBTL1
SCHEMBL8344771 0.58 GAA (0.41) CES2GAAL3MBTL1

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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US claimed
US-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (1 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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 CES2 2239/4885GAA 816/4885TDP2 1936/4885

“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.