SCHEMBL4805233

SCHEMBL4805233

CNC(=O)c1ccccc1S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
GAA P10253 1/20 0.53
PLK1 P53350 3/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 2/20 0.49
BCAT2 O15382 1/20 0.49
DDX3X O00571 2/20 0.48
CA5A P35218 1/20 0.43
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP13 P45452 3/20 0.42
MMP12 P39900 2/20 0.42
MMP14 P50281 2/20 0.42
MMP16 P51512 2/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 1/20 0.41
MYC P01106 1/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL11435058 0.85 POLB (0.55) POLBGAAPLK1CA1CA2
SCHEMBL30843217 0.85 BCAT2 (0.67) POLBGAAPLK1CA1CA2
SCHEMBL7984802 0.85 BCAT2 (0.67) POLBGAAPLK1CA1CA2
SCHEMBL10435055 0.83 CA2 (0.71) POLBGAAPLK1CA1CA2
SCHEMBL11435059 0.83 POLB (0.56) POLBGAAPLK1CA1CA2
SCHEMBL31650197 0.83 POLB (0.56) POLBGAAPLK1CA1CA2
SCHEMBL7974285 0.81 POLB (0.55) POLBGAAPLK1CA1CA2
SCHEMBL13958976 0.81 MAPT (0.54) POLBCA1CA2CA9BCAT2
SCHEMBL11177249 0.81 CA1 (0.49) POLBCA1CA2CA9BCAT2
SCHEMBL27489013 0.81 CA9 (0.73) POLBGAACA1CA2CA9

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
CN-105343869-A Methods and compositions for preventing or treating ophthalmic conditions STEALTH PEPTIDES INT INC 2016-02-24 CN disclosed
CN-104244964-A METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OPHTHALMIC CONDITIONS STEALTH PEPTIDES INT INC 2014-12-24 CN disclosed
US-20130139724-A1 NOVEL AZO COMPOUND, AQUEOUS SOLUTION, INK COMPOSITION, INK FOR INKJET RECORDING, INKJET RECORDING METHOD, INK CARTRIDGE FOR INKJET RECORDING, AND INKJET RECORD FUJIFILM CORPORATION (JP) 2013-06-06 US disclosed
US-7396923-B2 Method for the sulfonation of compounds comprising free hydroxyl (OH) groups or primary or secondary amines ORGANES, TISSUES : REGENERATION, REPARATION, REMPLACEMENT- OTR3 (FR) 2008-07-08 US disclosed
EP-1456247-B1 METHOD FOR SULPHONATION OF COMPOUNDS COMPRISING FREE HYDROXYL (OH) GROUPS OR PRIMARY OR SECONDARY AMINES ORGANES TISSUS REGENERATION RE (FR) 2007-08-29 EP disclosed
EP-1473330-B1 Process for the synthesis of oxonol compound FUJI PHOTO FILM CO LTD (JP) 2007-02-14 EP disclosed
US-20040242801-A1 Method for the sulfonation of compounds comprising free hydroxyl (OH) groups or primary or secondary groups ORGANES, TISSUS: REGENERATION, REPARATION, REMPLACEMENT - OTR3, A CORPORATION OF FRANCE (FR) 2004-12-02 US disclosed