SCHEMBL6720070

SCHEMBL6720070

NS(=O)(=O)c1ccc(-c2cc(C(F)F)nn2C2CCCC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.43
PTGS1 P23219 11/20 0.43
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NR3C2 P08235 1/20 0.35
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 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
SCHEMBL6726241 0.99 PTGS2 (0.45) PTGS2PTGS1ABCB11ALDH1A1NR3C2
SCHEMBL6722046 0.89 PTGS2 (0.41) PTGS2PTGS1ABCB11ALDH1A1PIK3CD
SCHEMBL6719048 0.88 PTGS2 (0.43) PTGS2PTGS1ABCB11ALDH1A1PIK3CD
SCHEMBL6731896 0.85 PTGS2 (0.42) PTGS2PTGS1ABCB11ALDH1A1NR3C2
SCHEMBL6734645 0.84 PTGS2 (0.41) PTGS2PTGS1ABCB11ALDH1A1NR3C2
SCHEMBL6735950 0.83 PTGS2 (0.34) PTGS2PTGS1ABCB11ALDH1A1PIK3CD
SCHEMBL6733626 0.82 CA12 (0.35) PTGS2PTGS1ABCB11ALDH1A1PIK3CD
SCHEMBL6732210 0.82 NR3C2 (0.53) PTGS2PTGS1NR3C2
SCHEMBL6722795 0.81 NR3C2 (0.52) PTGS2PTGS1NR3C2
SCHEMBL6732855 0.78 PTGS2 (0.39) PTGS2PTGS1ABCB11ALDH1A1

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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
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 (2 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 4/4885ABCB11 2898/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885ABCB11 2983/4885

“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.