Sugi Predict

Sugi Predict / Compounds / SCHEMBL6534820

SCHEMBL6534820

SCHEMBL6534820

CCS(=O)(=O)C(C)(C(C)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(C)c(OS(=O)(=O)C(F)(F)F)c(Cl)c2)cc1F)S(=O)(=O)CC

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 19/20 0.51
▸ PTGS1 P23219 9/20 0.39
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX5 P09917 1/20 0.36

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
SCHEMBL6513264 0.84 PTGS2 (0.57) PTGS2PTGS1CYP2C9
SCHEMBL6513081 0.69 PTGS2 (0.55) PTGS2PTGS1CYP2C9
SCHEMBL6515713 0.69 PTGS2 (0.52) PTGS2PTGS1CYP2C9
SCHEMBL6340657 0.68 PTGS2 (1.00) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL6320978 0.68 PTGS2 (0.56) PTGS2PTGS1CYP2C9
SCHEMBL7863025 0.67 PTGS2 (0.67) PTGS2PTGS1CYP2C9
SCHEMBL6728867 0.67 PTGS2 (0.56) PTGS2PTGS1CYP2C9
SCHEMBL6722922 0.67 PTGS2 (0.56) PTGS2PTGS1CYP2C9
SCHEMBL6512653 0.66 PTGS2 (0.57) PTGS2PTGS1CYP2C9
SCHEMBL6725721 0.65 PTGS2 (0.65) PTGS2PTGS1CYP2C9

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-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 — — US disclosed