SCHEMBL6702256

SCHEMBL6702256

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2nc(C(=O)NCc3ccccc3)sc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.49
S1PR3 Q99500 7/20 0.44
MAOB P27338 1/20 0.44
PTGER4 P35408 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41

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
SCHEMBL6700331 0.86 TRPC5 (0.38) TRPA1MAOB
SCHEMBL6700366 0.84 S1PR3 (0.44) TRPA1S1PR3PTGER4CACNA1GCACNA1H
SCHEMBL6701930 0.83 TRPA1 (0.54) TRPA1S1PR3PTGER4
SCHEMBL6700843 0.81 POLB (0.44) TRPA1S1PR3PTGER4
SCHEMBL6813950 0.80 POLB (0.45) TRPA1S1PR3PTGER4
SCHEMBL6702169 0.80 MMP13 (0.41) TRPA1
SCHEMBL6288790 0.78 MAOB (0.48) MAOBPTGER4L3MBTL1CACNA1GCACNA1H
SCHEMBL6700333 0.78 S1PR3 (0.48) TRPA1S1PR3PTGER4
SCHEMBL6682303 0.75 S1PR3 (0.47) TRPA1S1PR3PTGER4
SCHEMBL6704025 0.73 SCD (0.44) S1PR3MAOBPTGER4L3MBTL1CACNA1G

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 TRPA1 4283/4885S1PR3 1772/4885MAOB 358/4885

“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.