SCHEMBL31028699

SCHEMBL31028699

Cc1cc(S(N)(=O)=O)cnc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.42
SOS1 Q07889 1/20 0.40
APLNR P35414 1/20 0.40
CA2 P00918 8/20 0.40
CA4 P22748 5/20 0.40
PTGS1 P23219 5/20 0.38
CA1 P00915 5/20 0.38
CA9 Q16790 5/20 0.38
CA12 O43570 3/20 0.38
CA5A P35218 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
CA6 P23280 2/20 0.38
CA7 P43166 2/20 0.38
CA3 P07451 1/20 0.38
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL31028756 0.80 CA2 (0.47) PTGS2SOS1APLNRCA2CA4
SCHEMBL31028734 0.80 APLNR (0.42) PTGS2SOS1APLNRCA2CA4
SCHEMBL1700090 0.78 CA2 (0.48) PTGS2APLNRCA2CA4CA1
SCHEMBL5626144 0.78 NOS3 (0.52) PTGS2APLNRCA2CA4CA1
SCHEMBL31028738 0.78 KDM4E (0.40) PTGS2APLNRCA2CA4PTGS1
SCHEMBL31028653 0.77 CA2 (0.50) PTGS2SOS1APLNRCA2CA4
SCHEMBL31028737 0.77 ALDH1A1 (0.41) PTGS2APLNRCA2CA4PTGS1
SCHEMBL31028676 0.77 PTGS2 (0.45) PTGS2SOS1APLNRCA2CA4
SCHEMBL1207411 0.77 ALDH1A1 (0.41) PTGS2APLNRCA2CA4PTGS1
SCHEMBL13826164 0.70 CA2 (0.46) PTGS2APLNRCA2CA4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO claimed
WO-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO disclosed