SCHEMBL17548700

SCHEMBL17548700

CS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(S(C)(=O)=O)cc4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.62
GAA P10253 1/20 0.60
LOX P28300 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
CYP3A4 P08684 2/20 0.52
HTR6 P50406 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.52
MPO P05164 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
PKM P14618 1/20 0.52
PTGS2 P35354 3/20 0.50

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
SCHEMBL2376239 0.90 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL7655181 0.89 HTR6 (0.70) ENPP2GAAHTR6ALDH1A1PTGS2
SCHEMBL10016731 0.89 GAA (0.80) ENPP2GAAALDH1A1PKMPTGS2
SCHEMBL15908263 0.89 GAA (0.80) ENPP2GAAALDH1A1PKMPTGS2
SCHEMBL17936671 0.89 HTR6 (0.70) ENPP2GAAHTR6ALDH1A1PTGS2
SCHEMBL7940666 0.87 ENPP2 (0.86) ENPP2GAALMNAPKMPTGS2
SCHEMBL7938593 0.87 PTGS2 (0.62) PTGS2
SCHEMBL14097065 0.83 GAA (0.70) GAAALDH1A1PKMPTGS2
SCHEMBL10300269 0.81 PTGS2 (0.62) ENPP2PTGS2
SCHEMBL7677302 0.81 PTGS2 (0.62) ENPP2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670325-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2017-06-06 US disclosed
US-9505864-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2016-11-29 US disclosed
US-9505864-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2016-11-29 US disclosed
US-20160208053-A1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS THE BOEING COMPANY 2016-07-21 US disclosed
US-9315633-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2016-04-19 US disclosed
US-9315633-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2016-04-19 US disclosed
US-20160060377-A1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS THE BOEING COMPANY 2016-03-03 US disclosed
US-20160060377-A1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS THE BOEING COMPANY 2016-03-03 US disclosed