SCHEMBL7545945

SCHEMBL7545945

Cc1ccc(C2=C(c3ccc(S(C)(=O)=O)c(F)c3)CCC2)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.60
PTGS1 P23219 5/20 0.51
KIF11 P52732 2/20 0.43
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL7537632 0.90 PTGS2 (0.64) PTGS2PTGS1KIF11NR1H2NR1H3
SCHEMBL6723584 0.89 PTGS2 (0.59) PTGS2PTGS1KIF11
SCHEMBL7111850 0.87 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7538872 0.85 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8651437 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7110160 0.83 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7540741 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7157361 0.82 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7167440 0.82 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6730144 0.82 PTGS2 (0.48) PTGS2PTGS1

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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS2 5/4885PTGS1 4/4885KIF11 4794/4885

“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.