SCHEMBL9639338

SCHEMBL9639338

CC(=O)CC(=O)NS(=O)(=O)O.CCCN(CCC)CCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CA1 P00915 4/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA2 P00918 3/20 0.33
CA9 Q16790 1/20 0.33
TERT O14746 1/20 0.33
PAOX Q6QHF9 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CA4 P22748 1/20 0.31
POLB P06746 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL10838047 0.89 KDM5A (0.39) FNTAFNTBCA1CA12CA9
SCHEMBL10375145 0.84 FNTA (0.40) FNTAFNTBCA1CA7CA2
SCHEMBL10969272 0.84 FNTA (0.40) FNTAFNTBCA1CA7CA2
SCHEMBL2534109 0.84 FNTA (0.40) FNTAFNTBCA1CA7CA2
SCHEMBL3182370 0.83 FNTA (0.47) FNTAFNTBCA1CA7CA2
SCHEMBL28205206 0.83 FNTA (0.47) FNTAFNTBCA1CA7CA2
Trimethylammonium SCHEMBL10838652 0.81 FNTA (0.43) FNTAFNTBCA1CA7CA2
Fluoride SCHEMBL10492292 0.81 FNTA (0.46) FNTAFNTBCA1CA7CA2
SCHEMBL27257292 0.81 FNTA (0.46) FNTAFNTBCA1CA7CA2
Ammonia Solution, Strong SCHEMBL9638545 0.81 FNTA (0.46) FNTAFNTBCA1CA7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5103046-A PROCESS FOR THE PREPARATION OF 6-METHYL-3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ONE 2,2-DIOXIDE AND ITS NON-TOXIC SALTS, AND THE ACETOACETAMIDE-N-SULFONIC ACID (SALTS) WHICH OCCUR AS INTERMEDIATE(S) IN THIS PROCESS HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
US-5011982-A Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and its non-toxic salts and the acetoacetamide-n-sulfonic acid (salts) which occur as intermediate(s) in this process HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-30 US disclosed
EP-0155634-B1 PROCESS FOR THE PREPARATION OF 6-METHYL-3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ONE 2,2-DIOXIDE AND OF ITS NON-TOXIC SALTS, AS WELL AS OF ACETOACETAMIDE-N-SULFONIC ACID OCCURRING AS AN INTERMEDIARY IN THIS PROCESS, AND ITS SALTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-13 EP disclosed
US-4695629-A Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and its non-toxic salts HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
US-4607100-A Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and its non-toxic salts HOECHST AKTIENGESELLSCHAFT (DE) 1986-08-19 US disclosed