SCHEMBL28513477

SCHEMBL28513477

N[C@@H](CNc1ccc(S(N)(=O)=O)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.58
CA1 P00915 18/20 0.58
CA12 O43570 11/20 0.58
CA9 Q16790 11/20 0.58
KMT2A Q03164 1/20 0.50
CA14 Q9ULX7 2/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.48

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
SCHEMBL1339972 0.79 ALPI (0.52)
SCHEMBL3198336 0.79 ALPI (0.52)
SCHEMBL27734503 0.78 KIF11 (0.49)
SCHEMBL9404761 0.78 GRIK1 (0.46) KMT2A
SCHEMBL27734502 0.78 KIF11 (0.49)
SCHEMBL8637752 0.76 CA1 (0.68) CA2CA1CA12CA9KMT2A
SCHEMBL12332592 0.76 CA1 (0.75) CA2CA1CA12CA9CA14
SCHEMBL6001822 0.75 CA1 (0.59) CA2CA1CA12CA9KMT2A
SCHEMBL30998999 0.75 SLC7A5 (0.62) CA2CA1CA12CA9CA14
SCHEMBL27536397 0.73 CA1 (0.70) CA2CA1CA12CA9KMT2A

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
CN-112142629-A Preparation method of 3-aminosulfonylalanine 西北工业大学 2020-12-29 CN claimed
CN-112142629-B Preparation method of 3-aminosulfonylalanine 西北工业大学 2021-09-14 CN disclosed
CN-112142629-B Preparation method of 3-aminosulfonylalanine 西北工业大学 2021-09-14 CN disclosed
CN-112142629-A Preparation method of 3-aminosulfonylalanine 西北工业大学 2020-12-29 CN disclosed
CN-112142629-A Preparation method of 3-aminosulfonylalanine 西北工业大学 2020-12-29 CN disclosed