SCHEMBL6728463

SCHEMBL6728463

CS(=O)(=O)c1c(F)cc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.49
PTGS1 P23219 5/20 0.49
BRAF P15056 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALOX5 P09917 4/20 0.45
MAPK14 Q16539 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
MAPK11 Q15759 1/20 0.45
CSNK1A1L Q8N752 1/20 0.45
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41

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
SCHEMBL6739212 0.92 ESR1 (0.44) PTGS2PTGS1BRAFESR1ESR2
SCHEMBL6736195 0.92 ESR1 (0.44) PTGS2PTGS1BRAFESR1ESR2
SCHEMBL6729765 0.92 ESR1 (0.44) PTGS2PTGS1BRAFESR1ESR2
SCHEMBL6735038 0.91 PTGS1 (0.47) PTGS2PTGS1BRAFESR1ESR2
SCHEMBL6729665 0.90 ESR1 (0.42) PTGS2PTGS1BRAFESR1ESR2
SCHEMBL6736231 0.90 ESR1 (0.54) PTGS2PTGS1ESR1ESR2ALOX5
SCHEMBL6729275 0.90 ESR1 (0.39) PTGS2PTGS1BRAFESR1ESR2
SCHEMBL6736488 0.88 ESR1 (0.41) PTGS2PTGS1BRAFESR1ESR2
SCHEMBL6737154 0.88 ESR1 (0.41) PTGS2PTGS1BRAFESR1ESR2
SCHEMBL6739064 0.87 ESR1 (0.40) PTGS2PTGS1BRAFESR1ESR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US disclosed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US disclosed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US disclosed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US disclosed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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 (3 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-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885BRAF 763/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885BRAF 763/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885BRAF 763/4885

“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.