SCHEMBL11516558

SCHEMBL11516558

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.48
CA2 P00918 10/20 0.48
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
CA7 P43166 6/20 0.46
CA14 Q9ULX7 6/20 0.46
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TIMP3 P35625 1/20 0.41
PKM P14618 1/20 0.41

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 SCHEMBL11516550 0.85 CA1 (0.48) CA1CA2CA12CA9CA7
SCHEMBL26502893 0.80 MAPT (0.59) CA1CA2CA12CA9MAPT
SCHEMBL11520164 0.78 MAPT (0.62) CA1CA2CA12CA9CA7
SCHEMBL10049715 0.78 CA1 (0.53) CA1CA2CA12CA9CA7
SCHEMBL2740707 0.77 CA1 (0.51) CA1CA2CA12CA9CA7
SCHEMBL10869900 0.76 CA1 (0.54) CA1CA2CA12CA9CA7
SCHEMBL28226036 0.76 CA1 (0.67) CA1CA2CA12CA9CA7
SCHEMBL11522065 0.75 ALDH1A1 (0.54) MAPTTSHRPOLBALDH1A1LMNA
SCHEMBL13566682 0.74 CA1 (0.75) CA1CA2CA12CA9CA7
SCHEMBL17428489 0.74 CA1 (0.51) CA1CA2CA12CA9CA7

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 4 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
US-4005222-A Mucolytic mercaptoacylamidobenzoic and benzenesulfonic acid compounds and process MEAD JOHNSON & COMPANY (US) 1977-01-25 US disclosed