SCHEMBL6733102

SCHEMBL6733102

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
ALOX5AP P20292 3/20 0.34
FEN1 P39748 2/20 0.34
MAPK14 Q16539 7/20 0.33
ALOX5 P09917 1/20 0.33
BRAF P15056 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 0.32
CYP3A4 P08684 2/20 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
SCHEMBL6730507 0.92 NR1H2 (0.35) ESR1ESR2NR1H2NR1H3ALOX5AP
SCHEMBL6737092 0.92 NR1H2 (0.35) ESR1ESR2NR1H2NR1H3ALOX5AP
SCHEMBL6733540 0.89 ESR1 (0.39) ESR1ESR2NR1H2NR1H3ALOX5AP
SCHEMBL6735451 0.88 PTGS2 (0.38) ESR1ESR2NR1H2NR1H3ALOX5AP
SCHEMBL6725552 0.87 ESR1 (0.39) ESR1ESR2ALOX5APFEN1MAPK14
SCHEMBL6733150 0.87 NR1H2 (0.34) ESR1ESR2NR1H2NR1H3ALOX5AP
SCHEMBL6734677 0.87 BRAF (0.44) ESR1ESR2MAPK14ALOX5BRAF
SCHEMBL6734391 0.87 NR1H2 (0.40) ESR1ESR2NR1H2NR1H3ALOX5AP
SCHEMBL6733585 0.86 PTGS2 (0.42) ESR1ESR2NR1H2NR1H3ALOX5AP
SCHEMBL6737168 0.86 PTGS2 (0.42) ESR1ESR2NR1H2NR1H3ALOX5AP

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 201/4885NR1H2 173/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885NR1H2 173/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885NR1H2 173/4885

“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.