SCHEMBL19953618

SCHEMBL19953618

CS(=O)(=O)c1ccc(-c2oc(S(C)(=O)=O)cc(=O)c2-c2ccccc2F)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.78
PTGS1 P23219 1/20 0.46

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
SCHEMBL5708905 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6972243 0.77 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL6974584 0.75 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL6977149 0.75 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL1377412 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6976011 0.75 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7254993 0.74 PTGS2 (0.69) PTGS2
SCHEMBL6979325 0.74 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL9206986 0.73 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6975145 0.73 PTGS2 (0.74) 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-2018049014-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2018-03-15 WO disclosed