SCHEMBL6734677

SCHEMBL6734677

CS(=O)(=O)c1cc(F)c(-c2nc(C(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
ALOX5 P09917 3/20 0.44
PTGS2 P35354 9/20 0.44
PTGS1 P23219 4/20 0.44
MAPK14 Q16539 4/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
MAPK11 Q15759 1/20 0.40
CSNK1A1L Q8N752 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39

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
SCHEMBL6736539 0.92 ALOX5AP (0.42) BRAFALOX5PTGS2PTGS1MAPK14
SCHEMBL6736814 0.92 PTGS2 (0.40) BRAFALOX5PTGS2PTGS1MAPK14
SCHEMBL6729150 0.91 PTGS2 (0.42) BRAFALOX5PTGS2PTGS1ESR1
SCHEMBL6733540 0.91 ESR1 (0.39) BRAFALOX5PTGS2PTGS1MAPK14
SCHEMBL6739929 0.91 ESR1 (0.48) ALOX5PTGS2PTGS1MAPK14ALDH1A1
SCHEMBL6735451 0.90 PTGS2 (0.38) BRAFALOX5PTGS2PTGS1MAPK14
SCHEMBL6733215 0.88 FASN (0.38) BRAFALOX5PTGS2MAPK14ESR1
SCHEMBL6734216 0.88 ESR1 (0.37) BRAFALOX5PTGS2PTGS1MAPK14
SCHEMBL6733585 0.88 PTGS2 (0.42) ALOX5PTGS2PTGS1MAPK14ESR1
SCHEMBL6737168 0.88 PTGS2 (0.42) ALOX5PTGS2PTGS1MAPK14ESR1

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 BRAF 763/4885ALOX5 165/4885PTGS2 10/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 BRAF 763/4885ALOX5 165/4885PTGS2 10/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 BRAF 763/4885ALOX5 165/4885PTGS2 10/4885

“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.