SCHEMBL5032641

SCHEMBL5032641

NC(=O)N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
PRSS1 P07477 4/20 0.41
PRSS2 P07478 4/20 0.41
PRSS3 P35030 4/20 0.41
CA2 P00918 5/20 0.37
CA1 P00915 4/20 0.37
MMP1 P03956 4/20 0.37
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
MMP8 P22894 4/20 0.37
MMP13 P45452 4/20 0.37
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6139756 0.87 F2 (0.33) F2PRSS1PRSS2PRSS3
SCHEMBL6139797 0.86 F2 (0.32) F2PRSS1PRSS2PRSS3
SCHEMBL6234104 0.85 F2 (0.31) F2PRSS1PRSS2PRSS3CA2
Pentetic Acid SCHEMBL5369168 0.85 TDP1 (0.35) F2PRSS1PRSS2PRSS3CA2
SCHEMBL6860884 0.84 F2 (0.31) F2PRSS1PRSS2PRSS3
Lysine SCHEMBL5035367 0.81 GSR (0.43)
SCHEMBL5373026 0.80 ALDH1A1 (0.37) F2PRSS1PRSS2PRSS3CA2
SCHEMBL6139891 0.80 L3MBTL1 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL18954623 0.78 ALDH1A1 (0.38) MEN1ALDH1A1KMT2A
SCHEMBL18954799 0.77 ALDH1A1 (0.43) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307237-B9 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2008-01-09 EP disclosed
EP-1307237-B1 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2007-04-11 EP disclosed
EP-1307446-B1 PERFLUOROALKYL-CONTAINING COMPLEXES COMPRISING SUGAR RESIDUES, METHOD FOR PRODUCING THE SAME AND USE THEREOF SCHERING AG (DE) 2005-04-20 EP disclosed
EP-1307236-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
EP-1307237-A2 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
WO-2002013875-A2 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed
WO-2002013874-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed