SCHEMBL6733459

SCHEMBL6733459

CS(=O)(=O)c1c(F)cc(-c2nc(C(F)(F)F)[nH]c2-c2cccc(C(F)(F)F)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.46
MAPK13 O15264 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
PIN1 Q13526 1/20 0.41
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPY5R Q15761 1/20 0.39
XDH P47989 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6740094 0.89 SDHB (0.44) MAPK14ESR1ESR2PTGS2ALDH1A1
SCHEMBL6736231 0.89 ESR1 (0.54) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL6738824 0.88 ESR1 (0.41) MAPK14MAPK13MAPK12MAPK11ESR1
SCHEMBL6735783 0.88 ESR1 (0.41) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL6736195 0.87 ESR1 (0.44) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL6722772 0.87 MAPK14 (0.47) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL6729665 0.86 ESR1 (0.42) MAPK14MAPK11ESR1ESR2PTGS2
SCHEMBL6728169 0.86 MAPK14 (0.44) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL6735423 0.85 ESR1 (0.39) ESR1ESR2PIN1ALDH1A1XDH
SCHEMBL6729657 0.85 MAPK14 (0.41) MAPK14ESR1ESR2KDM4ELMNA

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 MAPK14 2311/4885MAPK13 2331/4885RAF1 275/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPK14 2311/4885MAPK13 2331/4885RAF1 275/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPK14 2311/4885MAPK13 2331/4885RAF1 275/4885

“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.