SCHEMBL6721645

SCHEMBL6721645

CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC(F)(F)F)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PTGS2 P35354 4/20 0.38
KIF11 P52732 1/20 0.38
BRAF P15056 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK14 Q16539 2/20 0.37
TEK Q02763 1/20 0.37
PTGS1 P23219 3/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
SCN1A P35498 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
CNR1 P21554 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 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
SCHEMBL6726335 0.90 MAPK14 (0.43) ESR1ESR2CYP3A4MAPK14PTGS1
SCHEMBL6737154 0.88 ESR1 (0.41) ESR1ESR2PTGS2KIF11BRAF
SCHEMBL6723408 0.88 BRAF (0.49) ESR1ESR2PTGS2BRAFCYP3A4
SCHEMBL6734216 0.88 ESR1 (0.37) ESR1ESR2PTGS2KIF11BRAF
SCHEMBL6729182 0.87 ESR1 (0.43) ESR1ESR2PTGS2BRAFCYP3A4
SCHEMBL6721985 0.87 ESR1 (0.55) ESR1ESR2PTGS2BRAFCYP3A4
SCHEMBL6721490 0.87 ESR1 (0.43) ESR1ESR2PTGS2BRAFCYP3A4
SCHEMBL6722617 0.87 ESR1 (0.43) ESR1ESR2PTGS2BRAFCYP3A4
SCHEMBL6723012 0.86 GRM2 (0.38) ESR1ESR2PTGS2BRAFCYP3A4
SCHEMBL6719121 0.86 ESR1 (0.35) ESR1ESR2PTGS2BRAFCYP3A4

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 ESR1 1770/4885ESR2 176/4885PTGS2 5/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 ESR1 1900/4885ESR2 160/4885PTGS2 5/4885

“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.