SCHEMBL6972159

SCHEMBL6972159

Cc1cc(=O)c(-c2ccc3ccccc3c2)c(-c2ccc(S(C)(=O)=O)cc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 3/20 0.68

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
SCHEMBL6977125 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6969867 0.84 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL6975634 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6967436 0.81 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL6968964 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6977149 0.81 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL6972681 0.81 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL1377981 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL1377265 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5708993 0.81 PTGS2 (1.00) PTGS2PTGS1

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
EP-1115716-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2003-01-02 EP disclosed
EP-1115716-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2001-07-18 EP disclosed
WO-2000018753-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA, S.A. (ES) 2000-04-06 WO disclosed