SCHEMBL11048762

SCHEMBL11048762

Cc1cc(C(=O)O)c(S(N)(=O)=O)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
LMNA P02545 1/20 0.73
MAPK1 P28482 1/20 0.73
TSHR P16473 1/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CISD1 Q9NZ45 1/20 0.41
HSD17B10 Q99714 5/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL11049115 0.80 LMNA (0.49) ALDH1A1LMNAMAPK1CA12CA1
SCHEMBL12603518 0.79 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCA12
SCHEMBL23732206 0.77 DAO (0.57) ALDH1A1LMNAMAPK1CA12CA1
SCHEMBL11459269 0.76 ALDH1A1 (0.61) ALDH1A1LMNAMAPK1TSHRCA12
SCHEMBL3932937 0.74 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1TSHRHSD17B10
SCHEMBL287087 0.73 ALDH1A1 (0.57) ALDH1A1LMNAMAPK1TSHRHSD17B10
SCHEMBL28297166 0.72 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1TSHRCA12
SCHEMBL31487941 0.71 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1TSHRCA12
SCHEMBL4547877 0.71 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1TSHRHSD17B10
SCHEMBL28297048 0.70 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1TSHRCA12

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
US-4430355-A ARTIFICIAL SWEETENER DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-02-07 US disclosed
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