SCHEMBL6692298

SCHEMBL6692298

O=C(O)C1=Cc2c([nH]c(=O)n(Cc3ccc(F)c(F)c3)c2=O)S(O)(O)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR7 Q9NYK1 1/20 0.33
PARP1 P09874 4/20 0.33
PARP2 Q9UGN5 4/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
S1PR3 Q99500 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
DAO P14920 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 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
SCHEMBL7063524 0.88 LIPG (0.31)
SCHEMBL7061509 0.86 HPGD (0.43) ALDH1A1KMT2A
SCHEMBL6695961 0.85 MMP1 (0.36) ALDH1A1KMT2A
SCHEMBL7120254 0.85 PDPK1 (0.40) ALDH1A1L3MBTL1MDM2S1PR3KMT2A
SCHEMBL6683778 0.79 PARP1 (0.39) SIGMAR1ALDH1A1TSHRL3MBTL1TLR7
SCHEMBL6678246 0.79 ALDH1A1 (0.36) SIGMAR1ALDH1A1TSHRL3MBTL1TLR7
SCHEMBL6678771 0.79 ALDH1A1 (0.39) SIGMAR1ALDH1A1TSHRL3MBTL1TLR7
SCHEMBL6692406 0.78 ALDH1A1 (0.36) SIGMAR1ALDH1A1TSHRL3MBTL1PTGS1
SCHEMBL7061233 0.77 ABCB1 (0.35) SIGMAR1ALDH1A1KMT2A
SCHEMBL7131191 0.75 MMP1 (0.40) ALDH1A1L3MBTL1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-11-11 US disclosed
WO-2004014921-A1 5,6-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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 SIGMAR1 4681/4885ALDH1A1 812/4885TSHR 4003/4885

“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.