SCHEMBL6679104

SCHEMBL6679104

Cn1c2c(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)C=C(C(=O)O)CO2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
HDAC1 Q13547 1/20 0.33
DPP4 P27487 1/20 0.33
PDE1B Q01064 1/20 0.33
GPR18 Q14330 1/20 0.33
POLB P06746 1/20 0.33
P2RX3 P56373 1/20 0.33
S1PR3 Q99500 1/20 0.32
MMP13 P45452 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
BRD4 O60885 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
SCHEMBL6668311 0.85 SMN1; SMN2 (0.45) ALDH1A1TSHRHDAC1POLBMMP13
SCHEMBL6705127 0.82 PTGS1 (0.38) PTGS1PTGS2PTGDR2ALDH1A1TSHR
SCHEMBL6681187 0.80 PTGS1 (0.35) PTGS1PTGS2PTGDR2ALDH1A1TSHR
SCHEMBL6663839 0.80 ALDH1A1 (0.36) PTGS1PTGS2PTGDR2ALDH1A1TSHR
SCHEMBL6692406 0.80 ALDH1A1 (0.36) PTGS1PTGS2PTGDR2ALDH1A1TSHR
SCHEMBL6678246 0.78 ALDH1A1 (0.36) PTGS1PTGS2PTGDR2ALDH1A1TSHR
SCHEMBL6683778 0.72 PARP1 (0.39) PTGS1PTGS2PTGDR2ALDH1A1TSHR
SCHEMBL6698891 0.71 PTGS1 (0.41) PTGS1PTGS2PTGDR2GRIN1GRIN2B
SCHEMBL6678517 0.70 THRB (0.43) ALDH1A1
SCHEMBL7115999 0.70 TRPA1 (0.42) ALDH1A1TSHRPOLBS1PR3

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 PTGS1 494/4885PTGS2 984/4885PTGDR2 1984/4885

“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.