SCHEMBL6700366

SCHEMBL6700366

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2nc(C(=O)NCc3ccccc3)oc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 13/20 0.44
PTGER4 P35408 1/20 0.43
TRPA1 O75762 4/20 0.43
CACNA1G O43497 2/20 0.42
CACNA1H O95180 2/20 0.42
CACNA1I Q9P0X4 2/20 0.42

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
SCHEMBL6703218 0.85 NPSR1 (0.39) CACNA1GCACNA1HCACNA1I
SCHEMBL6702256 0.84 TRPA1 (0.49) S1PR3PTGER4TRPA1CACNA1GCACNA1H
SCHEMBL6700333 0.83 S1PR3 (0.48) S1PR3PTGER4TRPA1
SCHEMBL6700843 0.81 POLB (0.44) S1PR3PTGER4TRPA1
SCHEMBL6813950 0.80 POLB (0.45) S1PR3PTGER4TRPA1
SCHEMBL6292842 0.79 PTGER4 (0.42) S1PR3PTGER4CACNA1GCACNA1HCACNA1I
SCHEMBL6701930 0.78 TRPA1 (0.54) S1PR3PTGER4TRPA1
SCHEMBL6703297 0.77 MMP13 (0.42)
SCHEMBL6682303 0.75 S1PR3 (0.47) S1PR3PTGER4TRPA1
SCHEMBL6696562 0.73 PTGER4 (0.42) S1PR3PTGER4CACNA1GCACNA1HCACNA1I

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US claimed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US 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 S1PR3 1772/4885PTGER4 1609/4885TRPA1 4283/4885

“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.