SCHEMBL31635992

SCHEMBL31635992

CC(C)(C)CCS(=O)(=O)c1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
MAPT P10636 5/20 0.59
LMNA P02545 5/20 0.59
HTT P42858 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
KMT2A Q03164 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 1/20 0.57
PSMB8 P28062 1/20 0.55
PSMB5 P28074 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL21827063 0.89 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL12344745 0.85 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL30149949 0.81 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL3595617 0.81 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL18797503 0.80 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL9393802 0.80 PSMB8 (0.65) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL10807598 0.79 ALDH1A1 (0.59) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL30599508 0.79 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL28965366 0.79 PSMB8 (0.51) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1505008 0.78 ALDH1A1 (0.58) ALDH1A1MAPTLMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137310-A1 CRYSTALLINE GPR40 AGONIST AND METHODS OF MAKING KALLYOPE, INC. (US) 2025-06-26 WO disclosed