SCHEMBL6698891

SCHEMBL6698891

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2cc(C(=O)O)oc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MMP13 P45452 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
GPR18 Q14330 1/20 0.38
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
PCSK9 Q8NBP7 1/20 0.36
HDAC1 Q13547 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36

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
SCHEMBL6700333 0.87 S1PR3 (0.48)
SCHEMBL6822280 0.84 LOXL2 (0.40) PTGS1PTGS2PTGDR2MMP13GRIN1
SCHEMBL6822278 0.84 P2RX3 (0.41) PTGDR2
SCHEMBL6703218 0.80 NPSR1 (0.39) PTGS1PTGS2PTGDR2GPR18GRIN1
SCHEMBL6697068 0.78 MMP13 (0.46) PTGS1PTGS2PTGDR2MMP13SLC22A8
SCHEMBL6702361 0.78 NPSR1 (0.43) PTGDR2GPR18GRIN1GRIN2BPCSK9
SCHEMBL6466057 0.77 MMP13 (0.57) PTGS1PTGS2PTGDR2MMP13SLC22A8
SCHEMBL6702588 0.77 MMP13 (0.39) PTGS1PTGS2MMP13SLC22A8GPR18
SCHEMBL6822279 0.77 TRPA1 (0.47) MMP13
SCHEMBL8340646 0.76 PTGS1 (0.41) PTGS1PTGS2PTGDR2MMP13SLC22A8

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US claimed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 PTGS1 41/4885PTGS2 217/4885PTGDR2 971/4885

“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.