SCHEMBL6663839

SCHEMBL6663839

Cn1c2c(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)C=C(C(=O)O)CS2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
P2RX3 P56373 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
DPP4 P27487 1/20 0.33
GPR18 Q14330 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
MMP13 P45452 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
BRD4 O60885 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6666868 0.89 P2RX7 (0.31) PKMRAB9ASMN1; SMN2
SCHEMBL6679185 0.85 SMN1; SMN2 (0.45) ALDH1A1MMP13SLC22A8PKMRAB9A
SCHEMBL6705127 0.82 PTGS1 (0.38) ALDH1A1TSHRL3MBTL1PTGS1PTGS2
SCHEMBL6681187 0.80 PTGS1 (0.35) ALDH1A1TSHRL3MBTL1PTGS1PTGS2
SCHEMBL6692406 0.80 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1PTGS1PTGS2
SCHEMBL6679104 0.80 PTGS1 (0.36) ALDH1A1TSHRL3MBTL1PTGS1PTGS2
SCHEMBL6667486 0.79 P2RX3 (0.35) ALDH1A1TSHRL3MBTL1PTGS1PTGS2
SCHEMBL6678771 0.78 ALDH1A1 (0.39) ALDH1A1TSHRL3MBTL1PTGS1PTGS2
SCHEMBL6680997 0.73 S1PR1 (0.38) ALDH1A1TSHRL3MBTL1PTGS1PTGS2
SCHEMBL6683778 0.72 PARP1 (0.39) ALDH1A1TSHRL3MBTL1PTGS1PTGS2

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 ALDH1A1 812/4885TSHR 4003/4885L3MBTL1 2277/4885

“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.