SCHEMBL5597237

SCHEMBL5597237

Cc1ccc(-c2nc(C(F)(F)F)c(-c3ccc(S(C)(=O)=O)cc3)[nH]2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.54
MAPK14 Q16539 3/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 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
PTGS1 P23219 4/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PDE4D Q08499 1/20 0.46
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
KCNH2 Q12809 2/20 0.41
SCD O00767 1/20 0.41
MAP4K4 O95819 1/20 0.40

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
SCHEMBL6440993 0.85 PTGS2 (0.52) PTGS2MAPK14ALDH1A1ALOX5CSNK1A1
SCHEMBL5144240 0.85 MAPK14 (0.51) MAPK14ALDH1A1ALOX5CSNK1A1CSNK1D
SCHEMBL5500317 0.83 SCD (0.54) PTGS2MAPK14ALDH1A1ALOX5CSNK1A1
SCHEMBL5597026 0.81 PTGS2 (0.53) PTGS2MAPK14ALDH1A1ALOX5CSNK1A1
SCHEMBL5597148 0.80 PTGS2 (0.50) PTGS2MAPK14ALDH1A1ALOX5CSNK1A1
SCHEMBL6448446 0.80 MAPK14 (0.64) PTGS2MAPK14ALDH1A1ALOX5CSNK1A1
SCHEMBL5501473 0.79 PTGS2 (0.50) PTGS2MAPK14ALDH1A1ALOX5CSNK1A1
SCHEMBL7798253 0.78 CBFB (0.56) PTGS2MAPK14ALDH1A1ALOX5CSNK1A1
SCHEMBL8554519 0.77 PTGS2 (0.47) PTGS2MAPK14ALDH1A1ALOX5CSNK1A1
SCHEMBL6465182 0.77 SCD (0.56) PTGS2MAPK14ALDH1A1ALOX5CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1039914-A4 CYCLOOXYGENASE-2 INHIBITION CORNELL RES FOUNDATION INC (US) 2007-06-27 EP disclosed
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 US disclosed
EP-1039914-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 2000-10-04 EP disclosed
WO-1999030721-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-24 WO 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-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 PTGS2 4/4885MAPK14 1113/4885ALDH1A1 1789/4885

“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.