SCHEMBL6720129

SCHEMBL6720129

COc1cc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)c(F)c2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.43
BRAF P15056 3/20 0.40
PTGS1 P23219 3/20 0.39
TEK Q02763 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RIPK2 O43353 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
SCN9A Q15858 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 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
SCHEMBL6725841 0.92 PTGS2 (0.44) PTGS2BRAFPTGS1TEKLMNA
SCHEMBL6734050 0.89 PTGS2 (0.44) PTGS2BRAFPTGS1TEKLMNA
SCHEMBL6718671 0.89 BRAF (0.43) PTGS2BRAFPTGS1LMNANPSR1
SCHEMBL6733928 0.89 PTGS2 (0.42) PTGS2BRAFPTGS1TEKLMNA
SCHEMBL7090217 0.86 PTGS2 (0.56) PTGS2PTGS1TEKLMNATP53
SCHEMBL6726312 0.84 PTGS1 (0.46) PTGS2BRAFPTGS1ESR1ESR2
SCHEMBL6723894 0.84 ESR1 (0.40) PTGS2BRAFPTGS1ESR1ESR2
SCHEMBL6722816 0.84 PTGS2 (0.38) PTGS2PTGS1TEKTP53RIPK2
SCHEMBL6730003 0.84 ESR1 (0.41) PTGS2BRAFPTGS1ESR1ESR2
SCHEMBL6729038 0.83 TGFBR1 (0.43) PTGS2BRAFPTGS1KMT2AESR1

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 4 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
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO 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 5/4885BRAF 788/4885PTGS1 4/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885BRAF 935/4885PTGS1 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.