SCHEMBL6729205

SCHEMBL6729205

CS(=O)(=O)c1cc(F)c(-c2nc(C(F)(F)F)[nH]c2-c2ccccc2F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
SCD O00767 3/20 0.36
FADS1 O60427 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
ALOX5 P09917 1/20 0.35
MAPK14 Q16539 4/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRAF P15056 1/20 0.34
SDHB P21912 1/20 0.33
POLB P06746 1/20 0.33
PTPN1 P18031 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MBNL1 Q9NR56 1/20 0.33

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
SCHEMBL6739929 0.89 ESR1 (0.48) PTGS2NR1H2NR1H3ALOX5MAPK14
SCHEMBL8802006 0.88 ALOX5 (0.42) PTGS2SCDFADS1ALOX5MAPK14
SCHEMBL6740267 0.88 PTGS2 (0.39) PTGS2NR1H2NR1H3ALOX5MAPK14
SCHEMBL6736839 0.88 MAPK14 (0.39) NR1H2NR1H3ALOX5MAPK14BRAF
SCHEMBL6729506 0.88 MAPK14 (0.36) PTGS2NR1H2NR1H3MAPK14BRAF
SCHEMBL6734677 0.84 BRAF (0.44) PTGS2ALOX5MAPK14ESR1ESR2
SCHEMBL6736814 0.83 PTGS2 (0.40) PTGS2NR1H2NR1H3ALOX5MAPK14
SCHEMBL6736539 0.83 ALOX5AP (0.42) PTGS2NR1H2NR1H3ALOX5MAPK14
SCHEMBL6735451 0.83 PTGS2 (0.38) PTGS2NR1H2NR1H3ALOX5MAPK14
SCHEMBL6738959 0.83 NR1H2 (0.35) PTGS2NR1H2NR1H3ALOX5MAPK14

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 10/4885SCD 1957/4885FADS1 584/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885SCD 1957/4885FADS1 584/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885SCD 1957/4885FADS1 584/4885

“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.