SCHEMBL30807872

SCHEMBL30807872

CCC(N)CCOc1cc(F)cc(S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 3/20 0.41
▸ LOX P28300 1/20 0.35
▸ KAT6A Q92794 2/20 0.34
▸ NR1H2 P55055 4/20 0.32
▸ NR1H3 Q13133 4/20 0.32
▸ EPAS1 Q99814 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA7 P43166 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PTGS1 P23219 2/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ DCK P27707 1/20 0.31
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL13732234 0.86 GBA1 (0.38) GBA1LOXNR1H2NR1H3EPAS1
SCHEMBL13731094 0.80 LOX (0.39) GBA1LOXKAT6ANR1H2NR1H3
SCHEMBL13730672 0.77 EPAS1 (0.38) GBA1LOXKAT6ANR1H2NR1H3
SCHEMBL17530475 0.77 LOX (0.35) GBA1LOXNR1H2NR1H3EPAS1
SCHEMBL13730404 0.76 KDM4E (0.44) GBA1KAT6A
SCHEMBL13730289 0.75 GBA1 (0.35) GBA1LOXKAT6ANR1H2NR1H3
SCHEMBL13732231 0.75 ALDH1A1 (0.39) GBA1LOXKAT6ADCK
SCHEMBL13731063 0.75 MAPT (0.47) TSHR
SCHEMBL13730661 0.74 ADRB2 (0.40) GBA1KAT6ADCK
Mesdopetam SCHEMBL13732678 0.74 KAT6A (0.40) GBA1KAT6ATSHRDCK

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-4577201-A1 MESDOPETAM COMPOSITIONS Alkem Laboratories Limited (IN) 2025-07-02 — — EP disclosed
WO-2024042540-A1 MESDOPETAM COMPOSITIONS ALKEM LABORATORIES LIMITED (IN) 2024-02-29 — — WO disclosed
Send feedback