SCHEMBL6448449

SCHEMBL6448449

Cc1cccc(-c2cc(S(C)(=O)=O)ccc2-c2nc(C(F)(F)F)c[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SDHB P21912 1/20 0.52
PTGS2 P35354 15/20 0.51
PTGS1 P23219 6/20 0.51
MAPK14 Q16539 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL7144668 0.87 PTGS2 (0.49) SDHBPTGS2PTGS1
SCHEMBL5597397 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL27731904 0.79 SDHB (0.50) SDHBPTGS2PTGS1
SCHEMBL7147045 0.78 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6532907 0.74 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL29662867 0.71 MAPK14 (0.56) SDHBPTGS2PTGS1MAPK14
SCHEMBL7775612 0.71 POLB (0.44) SDHBPTGS2
SCHEMBL19805674 0.69 SDHB (1.00) SDHBPTGS2PTGS1
SCHEMBL8908072 0.68 PTGS2 (0.56) PTGS2PTGS1SYK
SCHEMBL6448446 0.68 MAPK14 (0.64) SDHBPTGS2PTGS1MAPK14

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 SDHB 91/4885PTGS2 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.