SCHEMBL31399701

SCHEMBL31399701

CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2S(=O)(=O)c1cccc2c(OC(F)F)nccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.51
▸ F13A1 P00488 1/20 0.45
▸ TGM2 P21980 1/20 0.45
▸ TGM1 P22735 1/20 0.45
▸ PARP1 P09874 1/20 0.40
▸ GPR119 Q8TDV5 5/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ CHRM1 P11229 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ SPR P35270 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.33
▸ MAP3K13 O43283 1/20 0.33
▸ MAP3K12 Q12852 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33

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
SCHEMBL31399689 0.80 TGM2 (0.44) F13A1TGM2TGM1CHRM1
SCHEMBL31471915 0.76 HSD11B1 (0.58) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL15932400 0.73 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL17075765 0.73 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL17075769 0.73 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL31471811 0.73 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL31472006 0.72 HSD11B1 (0.79) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL31471867 0.71 HSD11B1 (0.61) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL31471817 0.70 HSD11B1 (0.63) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL23795420 0.70 MMP13 (0.45) GPR119

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-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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