SCHEMBL6679418

SCHEMBL6679418

Cc1c2n(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)C=C(C(=O)O)OC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR3 Q99500 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
P2RY14 Q15391 1/20 0.33
DRD3 P35462 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CHRM1 P11229 1/20 0.32
P2RX7 Q99572 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL6685075 0.85 TRPA1 (0.43) ALDH1A1TSHRL3MBTL1S1PR3
SCHEMBL6681574 0.85 ALDH1A1 (0.36) PTGDR2ALDH1A1KDM4ERAB9AHTT
SCHEMBL6682079 0.85 NOTUM (0.40) ALDH1A1KDM4ERAB9ATSHRL3MBTL1
SCHEMBL6679462 0.82 ALDH1A1 (0.36) PTGDR2ALDH1A1KDM4ERAB9APTGS1
SCHEMBL6680959 0.80 ALDH1A1 (0.38) PTGDR2ALDH1A1KDM4ERAB9APTGS1
SCHEMBL6682049 0.78 ABCB1 (0.35) ALDH1A1KDM4ERAB9A
SCHEMBL6683536 0.72 TRPA1 (0.45) ALDH1A1S1PR3
SCHEMBL6679240 0.72 TP53 (0.36) ALDH1A1KDM4ERAB9ATSHRL3MBTL1
SCHEMBL6682041 0.71 MAPK14 (0.39) ALDH1A1KDM4ERAB9AHTTTSHR
SCHEMBL6682928 0.70 TP53 (0.36) PTGDR2ALDH1A1KDM4ERAB9ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US claimed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
WO-2004014354-A1 1,6-FUSED URACIL DERIVATIVES AS MATRIX 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-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 PTGDR2 1956/4885ALDH1A1 430/4885KDM4E 1434/4885

“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.