SCHEMBL31399710

SCHEMBL31399710

COc1nccc2c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TGM2 P21980 14/20 0.46
▸ F13A1 P00488 11/20 0.46
▸ TGM1 P22735 8/20 0.46
▸ DTYMK P23919 1/20 0.44
▸ TGM3 Q08188 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ CHRM1 P11229 1/20 0.42

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
SCHEMBL31399743 0.90 CCNT1 (0.41) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL31399689 0.88 TGM2 (0.44) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL31399717 0.86 CHRM1 (0.54) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL31399716 0.86 CHRM1 (0.54) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL31399719 0.84 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL31399732 0.84 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL31261846 0.82 TGM2 (0.44) ALDH1A1TSHRSMN1; SMN2TGM2F13A1
SCHEMBL986377 0.81 TGM2 (0.43) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL23795420 0.81 MMP13 (0.45) —
SCHEMBL23810437 0.81 MMP13 (0.45) —

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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