SCHEMBL27770490

SCHEMBL27770490

NCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(OCC(=O)O)c2)c2cccc(Cl)c2CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.51
CA12 O43570 13/20 0.48
CA1 P00915 13/20 0.48
CA2 P00918 13/20 0.48
CA4 P22748 13/20 0.48
CA9 Q16790 13/20 0.48
THRB P10828 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
SCHEMBL2178144 0.88 PTGER1 (0.63) PTGER1CA12CA1CA2CA4
SCHEMBL27749427 0.85 PTGER1 (0.50) PTGER1THRB
SCHEMBL27749658 0.85 PTGER1 (0.51) PTGER1CA1CA2THRB
SCHEMBL12407575 0.85 PTGER1 (0.57) PTGER1CA12CA1CA2CA4
SCHEMBL2176713 0.85 PTGER1 (0.61) PTGER1CA12CA1CA2CA4
SCHEMBL2175531 0.85 PTGER1 (0.55) PTGER1CA12CA1CA2CA4
SCHEMBL12407580 0.83 PTGER1 (0.53) PTGER1CA12CA1CA2CA4
SCHEMBL27749426 0.82 THRB (0.52) PTGER1THRB
SCHEMBL12407581 0.81 PTGER1 (0.51) PTGER1CA12CA1CA2CA4
SCHEMBL12481532 0.81 PTGER1 (0.51) PTGER1CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101500554-B Sulfonamide compound or salt thereof ASTELLAS PHARMA INC 2012-06-27 CN claimed
CN-101500554-A Sulfonamide compound or salt thereof ASTELLAS PHARMA INC (JP) 2009-08-05 CN claimed
CN-101500554-B Sulfonamide compound or salt thereof ASTELLAS PHARMA INC 2012-06-27 CN disclosed
CN-101500554-A Sulfonamide compound or salt thereof ASTELLAS PHARMA INC (JP) 2009-08-05 CN disclosed