SCHEMBL11520164

SCHEMBL11520164

CC(S)C(=O)Nc1ccc(S(=O)(=O)O)cc1.[KH]

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
CA1 P00915 11/20 0.53
CA2 P00918 11/20 0.53
CA12 O43570 3/20 0.53
CA9 Q16790 3/20 0.53
CA7 P43166 8/20 0.50
CA14 Q9ULX7 8/20 0.50
TIMP3 P35625 1/20 0.45
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Potassium Ion SCHEMBL11520162 0.83 MAPT (0.62) MAPTCA1CA2CA12CA9
SCHEMBL10869900 0.81 CA1 (0.54) CA1CA2CA12CA9CA7
SCHEMBL10049715 0.80 CA1 (0.53) CA1CA2CA12CA9CA7
SCHEMBL2740707 0.79 CA1 (0.51) CA1CA2CA12CA9CA7
SCHEMBL13566682 0.79 CA1 (0.75) CA1CA2CA12CA9CA7
SCHEMBL17428489 0.79 CA1 (0.51) MAPTCA1CA2CA12CA9
SCHEMBL11516558 0.78 CA1 (0.48) MAPTCA1CA2CA12CA9
SCHEMBL10797653 0.78 CA1 (0.60) CA1CA2CA12CA9CA7
SCHEMBL26502909 0.77 MAPT (1.00) MAPTCA1CA2CA12CA9
SCHEMBL28226036 0.77 CA1 (0.67) MAPTCA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4178301-A 4-(2-(ACETYLTHIO)ACETAMIDO)BENZOIC ACID AS MUCOLYTIC AGENT MEAD JOHNSON & COMPANY (US) 1979-12-11 US disclosed
US-4132802-A LIQUEFACTION OF MUCUS MEAD JOHNSON & COMPANY (US) 1979-01-02 US disclosed
US-4096277-A Mucolytic mercaptoacylamidobenzamides and process of using same MEAD JOHNSON & COMPANY (US) 1978-06-20 US disclosed