SCHEMBL6448446

SCHEMBL6448446

Cc1cccc(-c2nc(C(F)(F)F)c(-c3ccc(S(C)(=O)=O)cc3)[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.64
PTGS2 P35354 4/20 0.53
PTGS1 P23219 3/20 0.53
ALOX5 P09917 2/20 0.49
SDHB P21912 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
MAPK11 Q15759 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CSNK1A1L Q8N752 1/20 0.46

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
SCHEMBL6465182 0.87 SCD (0.56) MAPK14PTGS2PTGS1ALOX5ALDH1A1
SCHEMBL5500317 0.87 SCD (0.54) MAPK14PTGS2PTGS1ALOX5ALDH1A1
SCHEMBL5597026 0.85 PTGS2 (0.53) MAPK14PTGS2ALOX5ALDH1A1CSNK1A1
SCHEMBL5144240 0.84 MAPK14 (0.51) MAPK14ALOX5ALDH1A1CSNK1A1CSNK1D
SCHEMBL6440993 0.81 PTGS2 (0.52) MAPK14PTGS2PTGS1ALOX5ALDH1A1
SCHEMBL5597148 0.81 PTGS2 (0.50) MAPK14PTGS2PTGS1ALOX5ALDH1A1
SCHEMBL5597237 0.80 PTGS2 (0.54) MAPK14PTGS2PTGS1ALOX5ALDH1A1
SCHEMBL8554519 0.79 PTGS2 (0.47) MAPK14PTGS2PTGS1ALOX5ALDH1A1
SCHEMBL17002183 0.78 MAPK14 (1.00) MAPK14ALOX5ALDH1A1CSNK1A1CSNK1D
SCHEMBL5501473 0.78 PTGS2 (0.50) MAPK14PTGS2PTGS1ALOX5ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-10 US 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 (1 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-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders TXNRD2, PRDX5, PTGS2 MAPK14 1805/4885PTGS2 3/4885PTGS1 10/4885

“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.