SCHEMBL30840744

SCHEMBL30840744

Cc1ccc(S(=O)(=O)OCCC(C)(C)C(F)(F)COCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 4/20 0.38
AR P10275 1/20 0.37
MAPT P10636 4/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ATM Q13315 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CA12 O43570 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CA9 Q16790 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIR O00625 1/20 0.35

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
SCHEMBL12445295 0.79 CA2 (0.44) ALDH1A1GAAPKMLMNAMAPT
SCHEMBL578328 0.79 ALDH1A1 (0.51) ALDH1A1GAAPKMLMNAAR
SCHEMBL30869939 0.78 ALDH1A1 (0.50) ALDH1A1GAAPKMLMNAAR
SCHEMBL578733 0.78 ALDH1A1 (0.50) ALDH1A1GAAPKMLMNAAR
SCHEMBL1219330 0.78 ALDH1A1 (0.50) ALDH1A1GAAPKMLMNAAR
SCHEMBL18428696 0.78 ALDH1A1 (0.50) ALDH1A1GAAPKMLMNAAR
SCHEMBL6267237 0.78 ALDH1A1 (0.50) ALDH1A1GAAPKMLMNAAR
SCHEMBL12595169 0.78 ALDH1A1 (0.50) ALDH1A1GAAPKMLMNAAR
SCHEMBL20958124 0.78 ALDH1A1 (0.50) ALDH1A1GAAPKMLMNAAR
SCHEMBL22945552 0.77 BCHE (0.41) ALDH1A1GAAPKMLMNAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583972-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF Sionna Therapeutics Inc. (US) 2025-07-16 EP disclosed
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed