SCHEMBL6729133

SCHEMBL6729133

CS(=O)(=O)c1c(F)cc(-c2nc(C(F)F)[nH]c2-c2ccc(C#N)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
MAPK11 Q15759 3/20 0.40
ALOX5 P09917 3/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
GCGR P47871 1/20 0.40
PTGS2 P35354 6/20 0.37
PTGS1 P23219 4/20 0.37
IDO1 P14902 1/20 0.37
ATR Q13535 1/20 0.36
RAF1 P04049 1/20 0.36
CYP3A4 P08684 2/20 0.35
TYK2 P29597 1/20 0.35
HSD11B1 P28845 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK1A1L Q8N752 1/20 0.34

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
SCHEMBL6735176 0.89 PIN1 (0.39) MAPK14ALOX5ATRTYK2ALDH1A1
SCHEMBL6723433 0.88 MAPK14 (0.39) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL6737269 0.88 PTGS2 (0.49) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL6733298 0.86 ALDH1A1 (0.43) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL6737427 0.86 PTGS2 (0.40) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL6738801 0.85 CYP11B1 (0.33) PTGS2PTGS1TYK2ALDH1A1
SCHEMBL6732445 0.85 TYK2 (0.34) MAPK14PTGS2PTGS1CYP3A4TYK2
SCHEMBL6734331 0.85 PTGS2 (0.47) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL6740226 0.85 HPGD (0.49) MAPK14ALOX5PTGS2PTGS1CYP3A4
SCHEMBL6731818 0.85 PTGS2 (0.38) MAPK14MAPK11ALOX5PTGS2PTGS1

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 2311/4885MAPK11 2563/4885ALOX5 165/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPK14 2311/4885MAPK11 2563/4885ALOX5 165/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPK14 2311/4885MAPK11 2563/4885ALOX5 165/4885

“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.