SCHEMBL6729652

SCHEMBL6729652

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
POLB P06746 1/20 0.38
ALOX5 P09917 3/20 0.37
TYK2 P29597 2/20 0.37
APP P05067 1/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KIF11 P52732 1/20 0.34
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
MAPK13 O15264 1/20 0.33
RAF1 P04049 1/20 0.33
MAPK12 P53778 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CSNK1A1 P48729 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
SCHEMBL6731912 0.89 ALOX5 (0.44) ALOX5PTGS1PTGS2MAPK11MAPK14
SCHEMBL6728226 0.89 MAPK14 (0.40) ALOX5APFEN1TYK2NR1H2NR1H3
SCHEMBL6734417 0.88 ALDH1A1 (0.41) ALOX5TYK2PTGS1PTGS2MAPK11
SCHEMBL6730134 0.87 TYK2 (0.40) ALOX5APFEN1POLBALOX5TYK2
SCHEMBL6728986 0.87 ALOX5 (0.36) ALOX5APFEN1ALOX5PTGS1PTGS2
SCHEMBL6736934 0.87 PTGS2 (0.42) ALOX5TYK2PTGS1PTGS2MAPK11
SCHEMBL6739660 0.87 ALDH1A1 (0.43) ALOX5APFEN1ALOX5NR1H2NR1H3
SCHEMBL6734274 0.87 PTGS2 (0.35) ALOX5APFEN1ALOX5NR1H2PTGS1
SCHEMBL6739124 0.86 NR1H2 (0.38) ALOX5APFEN1ALOX5TYK2NR1H2
SCHEMBL6739955 0.86 NR1H2 (0.38) ALOX5APFEN1ALOX5TYK2NR1H2

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 ALOX5AP 603/4885FEN1 1023/4885POLB 3280/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ALOX5AP 603/4885FEN1 1023/4885POLB 3280/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ALOX5AP 603/4885FEN1 1023/4885POLB 3280/4885

“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.