SCHEMBL6482492

SCHEMBL6482492

CC1=C2NC(C(=O)O)=NN2C(=O)C(Cc2ccc(F)c(F)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34
P2RY14 Q15391 1/20 0.34
CES2 O00748 8/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TDP2 O95551 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
NTRK1 P04629 1/20 0.31
CTSD P07339 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL6477547 0.88 CES2 (0.43) CES2TDP2L3MBTL1
SCHEMBL6477071 0.86 PTGER4 (0.38) HDAC2HDAC8HDAC6ALDH1A1NTRK1
SCHEMBL6813861 0.79 CES2 (0.36) CES2TDP2ALDH1A1TSHRL3MBTL1
SCHEMBL6477074 0.77 CES2 (0.33) P2RY14CES2TDP2ALDH1A1TSHR
SCHEMBL6477346 0.77 CES2 (0.36) P2RY14CES2TDP2ALDH1A1
SCHEMBL6488759 0.73 CES2 (0.43) CES2ALDH1A1L3MBTL1
SCHEMBL6477879 0.71 KDM5A (0.33) P2RY14ALDH1A1TSHRL3MBTL1KDM5A
SCHEMBL6486635 0.71 P2RY14 (0.32) P2RY14HDAC6ALDH1A1TSHRL3MBTL1
SCHEMBL6488442 0.70 ALDH1A1 (0.34) DAOP2RY14HDAC2HDAC8HDAC6
SCHEMBL6484477 0.69 HCAR3 (0.32) P2RY14HDAC2HDAC8HDAC6ALDH1A1

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
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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

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 DAO 950/4885P2RY14 3000/4885CES2 2239/4885

“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.