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SCHEMBL6532977

SCHEMBL6532977

Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)ssc2=S)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 1.00
▸ PTGS1 P23219 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
SCHEMBL3796420 0.93 PTGS2 (0.86) PTGS2
SCHEMBL3792799 0.88 PTGS2 (0.78) PTGS2
SCHEMBL3800813 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL3796815 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL3800282 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL3791830 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL13228129 0.85 PTGS2 (0.82) PTGS2
SCHEMBL3795981 0.84 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL3792242 0.82 PTGS2 (0.69) PTGS2
SCHEMBL3796877 0.81 PTGS2 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051941-A1 THIONE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2005-06-09 — — WO disclosed