SCHEMBL6731970

SCHEMBL6731970

Cc1cncc(-c2[nH]c(C(F)F)nc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
MAPK14 Q16539 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
ALDH1A1 P00352 2/20 0.32
CASP1 P29466 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.31
CSNK1D P48730 2/20 0.31
CSNK1E P49674 2/20 0.31
ALOX5 P09917 2/20 0.31
CSNK1A1 P48729 1/20 0.31
MAPK11 Q15759 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSNK1A1L Q8N752 1/20 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
SCHEMBL6728573 0.90 ALDH1A1 (0.34) PTGS2MAPK14ALDH1A1CASP1KDM4E
SCHEMBL6722071 0.86 MAPK14 (0.37) PTGS2MAPK14CYP11B1CYP11B2ALDH1A1
SCHEMBL6733298 0.85 ALDH1A1 (0.43) PTGS2MAPK14ALDH1A1KDM4ELMNA
SCHEMBL6734767 0.84 MAPK14 (0.43) MAPK14ALDH1A1KDM4ECSNK1DCSNK1E
SCHEMBL6735168 0.83 PTGS1 (0.37) PTGS2MAPK14ALDH1A1CASP1KDM4E
SCHEMBL6736522 0.83 PTGS2 (0.41) PTGS2MAPK14ALDH1A1KDM4ELMNA
SCHEMBL6735025 0.82 PTGS2 (0.40) PTGS2MAPK14CYP11B1CYP11B2ALDH1A1
SCHEMBL6729768 0.82 PTGS2 (0.37) PTGS2MAPK14ALDH1A1CASP1KDM4E
SCHEMBL6733700 0.82 PTGS2 (0.33) PTGS2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL6734220 0.81 CASP1 (0.39) PTGS2MAPK14ALDH1A1CASP1KDM4E

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 10/4885MAPK14 2311/4885CYP11B1 583/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885MAPK14 2311/4885CYP11B1 583/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885MAPK14 2311/4885CYP11B1 583/4885

“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.