SCHEMBL4553485

SCHEMBL4553485

O=S(=O)(O)c1cc(-c2ccc(F)c(S(=O)(=O)O)c2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.41
ACLY P53396 10/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
PTPN1 P18031 2/20 0.36
BRD4 O60885 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
KAT6A Q92794 2/20 0.34
PTK2B Q14289 1/20 0.34

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
SCHEMBL5605746 0.98 TET2 (0.40) TET2ACLYESR1ESR2PTPN1
Sulfur Dioxide SCHEMBL29103741 0.92 TET2 (0.37) TET2ACLYESR1ESR2PTPN1
Sulfur Dioxide SCHEMBL28794204 0.92 TET2 (0.37) TET2ACLYESR1ESR2PTPN1
SCHEMBL5277265 0.90 PTGS2 (0.39) TET2ACLYPTPN1KAT6A
SCHEMBL16341242 0.90 PKM (0.41) TET2ACLYPTPN1KAT6A
SCHEMBL4190433 0.90 ACLY (0.50) ACLYPTPN1KAT6A
Sulfur Dioxide SCHEMBL28538525 0.87 PTGS2 (0.37) TET2ACLYPTPN1
SCHEMBL15030397 0.83 VCAM1 (0.39) TET2
SCHEMBL3195282 0.82 PKM (0.47) TET2ACLYPTPN1KAT6A
SCHEMBL5126741 0.80 ALDH1A1 (0.44) TET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11143591-B2 Method for comparative analysis on mechanical strength of macro-molecular polymer materials SOUTHWEST UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-10-12 US disclosed
US-20200217793-A1 Method for Comparative Analysis on Mechanical Strength of Macro-molecular Polymer Materials SOUTHWEST UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-07-09 US disclosed
US-10640612-B2 Macromolecular polymer and production method thereof SOUTHWEST UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-05-05 US disclosed
US-10564099-B2 Method for comparative analysis on mechanical strength of polymer materials SOUTHWEST UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-02-18 US disclosed
EP-1561768-B1 POLYARYLENE ETHER COMPOUND CONTAINING SULFONIC ACID GROUP, COMPOSITION CONTAINING SAME, AND METHOD FOR MANUFACTURING THOSE TOYO BOSEKI (JP) 2009-09-30 EP disclosed