SCHEMBL31399707

SCHEMBL31399707

CC(C)c1nccc2c(S(=O)(=O)N3CCN(C(=O)CNC(=O)OC(C)(C)C)CC3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 6/20 0.49
▸ SIGMAR1 Q99720 1/20 0.44
▸ MAPK8 P45983 1/20 0.43
▸ FNTA P49354 2/20 0.43
▸ FNTB P49356 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL31399736 0.88 TGM2 (0.49) TGM2SIGMAR1MAPK8FNTAFNTB
SCHEMBL31399709 0.87 TGM2 (0.54) TGM2SIGMAR1MAPK8FNTAFNTB
SCHEMBL31399739 0.86 TGM2 (0.46) TGM2SIGMAR1MAPK8FNTAFNTB
SCHEMBL31399728 0.85 MAPK8 (0.50) TGM2SIGMAR1MAPK8FNTAFNTB
SCHEMBL31399737 0.84 TGM2 (0.49) TGM2SIGMAR1MAPK8FNTAFNTB
SCHEMBL17076468 0.81 TGM2 (0.72) TGM2SIGMAR1FNTAFNTBALDH1A1
SCHEMBL4194658 0.79 ROCK2 (0.59) TGM2SMN1; SMN2KDM4EHTTMEN1
SCHEMBL31261865 0.78 SIGMAR1 (0.48) TGM2SIGMAR1MAPK8FNTAFNTB
SCHEMBL31399729 0.73 TGM2 (0.46) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399716 0.72 CHRM1 (0.54) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E

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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