SCHEMBL6700331

SCHEMBL6700331

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.38
SCD O00767 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
P2RX3 P56373 1/20 0.37
DPP4 P27487 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
BRD4 O60885 1/20 0.37
MAOB P27338 1/20 0.36
TRPA1 O75762 1/20 0.36
TP53 P04637 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35
GPR18 Q14330 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6702256 0.86 TRPA1 (0.49) MAOBTRPA1
SCHEMBL6699400 0.83 PTGS1 (0.40) PTGS1PTGS2DPP4PTGDR2GRIN1
SCHEMBL6703218 0.80 NPSR1 (0.39) PTGS1PTGS2P2RX3DPP4PTGDR2
SCHEMBL6703224 0.78 PTGS1 (0.41) TRPC5PTGS1PTGS2PTGDR2TRPA1
SCHEMBL6702169 0.78 MMP13 (0.41) TRPA1TP53MEN1KMT2AGPR18
SCHEMBL6700993 0.77 MAPT (0.38) TRPC5P2RX3TRPA1TP53MEN1
SCHEMBL6703216 0.77 ADORA2B (0.38) PTGS1PTGS2P2RX3DPP4PTGDR2
SCHEMBL6819276 0.74 GRIN1 (0.42) TRPC5PTGS1PTGS2PTGDR2BRD4
SCHEMBL6288889 0.73 MAOB (0.39) SCDMAOB
SCHEMBL6702361 0.73 NPSR1 (0.43) DPP4PTGDR2GRIN1GRIN2BMEN1

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 TRPC5 4052/4885SCD 2142/4885PTGS1 41/4885

“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.