SCHEMBL6680997

SCHEMBL6680997

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
DPP4 P27487 2/20 0.34
SIGMAR1 Q99720 3/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
P2RX3 P56373 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
S1PR5 Q9H228 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DRD3 P35462 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6664692 0.89 GAA (0.30) HTTGAALMNAPRNP
SCHEMBL6677958 0.85 SMN1; SMN2 (0.44) ALDH1A1TSHRGAARAB9ALMNA
SCHEMBL6681696 0.81 CLPP (0.39) S1PR1S1PR3ALDH1A1TSHRL3MBTL1
SCHEMBL6691873 0.79 ALDH1A1 (0.36) S1PR1S1PR3ALDH1A1TSHRL3MBTL1
SCHEMBL6663839 0.73 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1HTTRAB9A
SCHEMBL6667486 0.72 P2RX3 (0.35) ALDH1A1TSHRL3MBTL1DPP4PTGS1
SCHEMBL6679516 0.69 CLPP (0.33) ALDH1A1TSHRL3MBTL1HTTGAA
SCHEMBL6682663 0.69 PKM (0.47) ALDH1A1TSHRLMNA
SCHEMBL6678209 0.69 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1GAAKDM4E
SCHEMBL7058527 0.68 MEN1 (0.31)

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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-11-11 US claimed
WO-2004014921-A1 5,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
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 S1PR1 443/4885S1PR3 465/4885ALDH1A1 812/4885

“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.