SCHEMBL5500317

SCHEMBL5500317

CS(=O)(=O)c1ccc(-c2[nH]c(-c3ccccc3)nc2C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.54
PTGS2 P35354 7/20 0.53
PTGS1 P23219 4/20 0.53
NPBWR1 P48145 1/20 0.53
MAPK14 Q16539 4/20 0.53
MAPK11 Q15759 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX5 P09917 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
CSNK1E P49674 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CSNK1A1L Q8N752 1/20 0.53
MAPK13 O15264 1/20 0.48
RAF1 P04049 1/20 0.48
MAPK12 P53778 1/20 0.48

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 0.87 PTGS2 (0.52) PTGS2PTGS1MAPK14MAPK11ALDH1A1
SCHEMBL6448446 0.87 MAPK14 (0.64) PTGS2PTGS1MAPK14MAPK11ALDH1A1
SCHEMBL6465182 0.86 SCD (0.56) SCDPTGS2PTGS1MAPK14MAPK11
SCHEMBL7798253 0.84 CBFB (0.56) SCDPTGS2PTGS1MAPK14MAPK11
SCHEMBL30874320 0.83 PTGS1 (0.74) PTGS2PTGS1MAPK14MAPK11ALDH1A1
SCHEMBL5597237 0.83 PTGS2 (0.54) SCDPTGS2PTGS1MAPK14MAPK11
SCHEMBL5501473 0.83 PTGS2 (0.50) SCDPTGS2PTGS1MAPK14MAPK11
SCHEMBL5597148 0.82 PTGS2 (0.50) PTGS2PTGS1MAPK14MAPK11ALDH1A1
SCHEMBL5144240 0.82 MAPK14 (0.51) SCDMAPK14MAPK11ALDH1A1ALOX5
SCHEMBL8796678 0.82 SCD (0.52) SCDPTGS2MAPK14MAPK11ALDH1A1

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
EP-1039914-A4 CYCLOOXYGENASE-2 INHIBITION CORNELL RES FOUNDATION INC (US) 2007-06-27 EP disclosed
EP-1146789-A4 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2007-02-14 EP disclosed
US-20050085478-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a low-molecular-weight heparin for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-21 US disclosed
EP-1146789-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RESEARCH FOUNDATION, INC. (US) 2001-10-24 EP disclosed
EP-1039914-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 2000-10-04 EP disclosed
WO-2000044225-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/neu CORNELL RESEARCH FOUNDATION, INC. (US) 2000-08-03 WO 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-20050085478-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a low-molecular-weight heparin for the treatment of central nervous system damage PTGS2, PTGS1, PTGER2 SCD 2376/4885PTGS2 1/4885PTGS1 2/4885

“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.