SCHEMBL6730237

SCHEMBL6730237

O=S(=O)(Cc1ccc(-c2ncccc2-c2cccc(F)c2)cc1F)Cc1ccc(-c2ncccc2-c2cccc(F)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 9/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ALOX5AP P20292 7/20 0.38
KMO O15229 1/20 0.37
MAOB P27338 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
DHODH Q02127 1/20 0.36
BDKRB1 P46663 1/20 0.36
MALT1 Q9UDY8 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
SCHEMBL6722680 0.90 PTGS2 (0.39) FEN1PTGS2PTGS1ALOX5APKMO
SCHEMBL6726098 0.89 PTGS2 (0.42) FEN1PTGS2PTGS1ALOX5APKMO
SCHEMBL6718600 0.89 GLO1 (0.42) FEN1PTGS2PTGS1ALOX5APKMO
SCHEMBL6721604 0.89 PTGS2 (0.51) FEN1PTGS2PTGS1ALOX5APKMO
SCHEMBL6723029 0.88 PTGS2 (0.41) FEN1PTGS2PTGS1ALOX5APKMO
SCHEMBL6725915 0.88 FEN1 (0.39) FEN1PTGS2PTGS1ALOX5APKMO
SCHEMBL6729798 0.88 KCNA5 (0.41) FEN1PTGS2PTGS1ALOX5APKMO
SCHEMBL6723509 0.88 FEN1 (0.40) FEN1PTGS2PTGS1ALOX5APKMO
SCHEMBL6722435 0.86 KCNA5 (0.46) FEN1PTGS2PTGS1PIM1MAOB
SCHEMBL6723468 0.86 PTGS2 (0.51) FEN1PTGS2PTGS1PIM1ALOX5AP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 FEN1 1713/4885PTGS2 5/4885PTGS1 4/4885

“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.