SCHEMBL11456166

SCHEMBL11456166

CCc1cc(C(=O)O)c(S(=O)(=O)NC(C)(C)C)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 1/20 0.45
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL11459269 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL8477444 0.79 DAO (0.46) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL11497669 0.69 ALDH1A1 (0.36) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL14018717 0.68 ALDH1A1 (0.47) GRIN2CALDH1A1MAPK1LMNAMEN1
SCHEMBL11497615 0.67 GRIN2C (0.40) GRIN2CALDH1A1MAPK1LMNAMEN1
SCHEMBL3663408 0.66 DAO (0.57) GRIN2CALDH1A1MAPK1LMNAMEN1
SCHEMBL2778266 0.66 GAA (0.65) GRIN2CALDH1A1MAPK1LMNAMEN1
SCHEMBL3664149 0.66 ALDH1A1 (0.46) GRIN2CALDH1A1MAPK1LMNAMEN1
SCHEMBL11459274 0.66 L3MBTL1 (0.51) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL710923 0.66 AGTR2 (0.32) ALDH1A1MAPK1LMNAMEN1KMT2A

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
US-4233333-A 4,5-Dimethyl-thieno[3,2-d]isothiazolo-3(2H)-one-1,1-dioxides, compositions, and methods of use as a sweetener BOEHRINGER INGELHEIM GMBH (DE) 1980-11-11 US disclosed