SCHEMBL25345480

SCHEMBL25345480

Cc1ccc(S(=O)(=O)OC[C@H](F)CF)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.41
STAT3 P40763 2/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DHODH Q02127 1/20 0.37
VDR P11473 1/20 0.37
CA1 P00915 3/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL30802773 1.00 AGER (0.41) AGERSTAT3GAAALDH1A1CYP3A4
SCHEMBL179049 0.91 AGER (0.44) AGERSTAT3GAAALDH1A1CYP3A4
SCHEMBL116676 0.87 AGER (0.41) AGERSTAT3GAAALDH1A1CYP3A4
SCHEMBL116604 0.87 AGER (0.41) AGERSTAT3GAAALDH1A1CYP3A4
SCHEMBL20267914 0.86 GAA (0.42) AGERSTAT3GAAALDH1A1CYP3A4
SCHEMBL28655071 0.85 DHODH (0.42) AGERSTAT3GAAALDH1A1CYP3A4
SCHEMBL17396769 0.85 CA12 (0.40) AGERSTAT3GAAALDH1A1CYP3A4
SCHEMBL10339892 0.85 ALDH1A1 (0.41) AGERSTAT3GAAALDH1A1CYP3A4
SCHEMBL17396847 0.85 CA12 (0.40) AGERSTAT3GAAALDH1A1CYP3A4
SCHEMBL25329343 0.84 AGER (0.41) AGERSTAT3GAAALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed