SCHEMBL6734458

SCHEMBL6734458

CS(=O)(=O)c1c(F)cc(-c2nc(C(F)(F)F)[nH]c2-c2cc(Br)cc(Br)c2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CASP1 P29466 1/20 0.36
PTGS2 P35354 8/20 0.36
PTGS1 P23219 6/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
BRAF P15056 1/20 0.32
KIF11 P52732 1/20 0.32
TGFBR1 P36897 1/20 0.31
MAPK14 Q16539 3/20 0.31
CYP3A4 P08684 2/20 0.31
ALOX5 P09917 2/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
MAPK11 Q15759 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSNK1A1L Q8N752 1/20 0.31

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) ESR1ESR2CASP1PTGS2PTGS1
SCHEMBL6738824 0.90 ESR1 (0.41) ESR1ESR2CASP1PTGS2PTGS1
SCHEMBL6729275 0.88 ESR1 (0.39) ESR1ESR2CASP1PTGS2PTGS1
SCHEMBL6732788 0.86 ESR1 (0.38) ESR1ESR2CASP1PTGS2PTGS1
SCHEMBL6733877 0.86 ESR1 (0.39) ESR1ESR2CASP1PTGS2PTGS1
SCHEMBL6736231 0.85 ESR1 (0.54) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL6729665 0.85 ESR1 (0.42) ESR1ESR2CASP1PTGS2PTGS1
SCHEMBL6739990 0.85 CASP1 (0.41) ESR1ESR2CASP1PTGS2PTGS1
SCHEMBL6728463 0.85 PTGS2 (0.49) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL6722790 0.85 ESR1 (0.40) ESR1ESR2PTGS2PTGS1ALDH1A1

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 ESR1 1259/4885ESR2 201/4885CASP1 29/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885CASP1 29/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885CASP1 29/4885

“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.