SCHEMBL6722643

SCHEMBL6722643

O=S(=O)(Cc1ccc(-c2ncccc2-c2ccc(Br)cc2)cc1F)Cc1ccc(-c2ncccc2-c2ccc(Br)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
CDC25B P30305 1/20 0.39
FEN1 P39748 6/20 0.37
AKR1B1 P15121 2/20 0.37
ALOX5AP P20292 4/20 0.36
KMO O15229 1/20 0.36
PADI1 Q9ULC6 1/20 0.36
PADI3 Q9ULW8 1/20 0.36
PADI4 Q9UM07 1/20 0.36
PADI2 Q9Y2J8 1/20 0.36
CHRM1 P11229 1/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
ABL1 P00519 1/20 0.34
PLCG1 P19174 1/20 0.34
CES1 P23141 1/20 0.34
PAX8 Q06710 1/20 0.34
RIN1 Q13671 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6721925 0.93 CDC25B (0.38) PTGS2PTGS1CDC25BFEN1AKR1B1
SCHEMBL6726098 0.91 PTGS2 (0.42) PTGS2PTGS1FEN1ALOX5APKMO
SCHEMBL6721604 0.91 PTGS2 (0.51) PTGS2PTGS1FEN1ALOX5APKMO
SCHEMBL6725915 0.91 FEN1 (0.39) PTGS2PTGS1CDC25BFEN1AKR1B1
SCHEMBL6726013 0.89 FEN1 (0.38) PTGS2PTGS1CDC25BFEN1ALOX5AP
SCHEMBL6730013 0.89 PTGS2 (0.43) PTGS2PTGS1FEN1ALOX5APKMO
SCHEMBL6723197 0.89 MALT1 (0.42) PTGS2PTGS1FEN1ALOX5APKMO
SCHEMBL6718600 0.89 GLO1 (0.42) PTGS2PTGS1FEN1ALOX5APKMO
SCHEMBL6722680 0.88 PTGS2 (0.39) PTGS2PTGS1CDC25BFEN1ALOX5AP
SCHEMBL6722946 0.87 TRPV1 (0.43) PTGS2PTGS1MAOB

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 PTGS2 5/4885PTGS1 4/4885CDC25B 665/4885

“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.