SCHEMBL6465182

SCHEMBL6465182

CS(=O)(=O)c1ccc(-c2[nH]c(-c3cccc(Cl)c3)nc2C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.56
PTGS2 P35354 6/20 0.55
MAPK14 Q16539 2/20 0.49
ALOX5 P09917 2/20 0.48
IDO1 P14902 1/20 0.48
ALDH1A1 P00352 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
MAPK11 Q15759 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CSNK1A1L Q8N752 1/20 0.45
PTGS1 P23219 2/20 0.44
PIN1 Q13526 1/20 0.44

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
SCHEMBL6448446 0.87 MAPK14 (0.64) PTGS2MAPK14ALOX5ALDH1A1CSNK1A1
SCHEMBL5500317 0.86 SCD (0.54) SCDPTGS2MAPK14ALOX5ALDH1A1
SCHEMBL5144240 0.81 MAPK14 (0.51) SCDMAPK14ALOX5ALDH1A1CSNK1A1
SCHEMBL6440993 0.81 PTGS2 (0.52) PTGS2MAPK14ALOX5ALDH1A1CSNK1A1
SCHEMBL8554519 0.80 PTGS2 (0.47) SCDPTGS2MAPK14ALOX5ALDH1A1
SCHEMBL5597148 0.78 PTGS2 (0.50) PTGS2MAPK14ALOX5ALDH1A1CSNK1A1
SCHEMBL7084420 0.77 PTGS2 (0.52) SCDPTGS2PTGS1
SCHEMBL5597026 0.77 PTGS2 (0.53) PTGS2MAPK14ALOX5ALDH1A1CSNK1A1
SCHEMBL5501473 0.77 PTGS2 (0.50) SCDPTGS2MAPK14ALOX5ALDH1A1
SCHEMBL5597237 0.77 PTGS2 (0.54) SCDPTGS2MAPK14ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0979077-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS G.D. Searle & Co. (US) 2000-02-16 EP disclosed
WO-1998047509-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1998-10-29 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 1/4885MAPK14 603/4885

“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.