SCHEMBL29787233

SCHEMBL29787233

COc1cc(C(=O)O)ccc1S(N)(=O)=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.77
HTT P42858 2/20 0.62
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA4 P22748 2/20 0.61
CA6 P23280 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
TPMT P51580 2/20 0.61
TSHR P16473 2/20 0.53
NEU3 Q9UQ49 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
PTGS2 P35354 1/20 0.50
TTR P02766 1/20 0.50
CA3 P07451 1/20 0.49

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
SCHEMBL1047475 1.00 PKM (0.77) PKMHTTCA12CA1CA2
SCHEMBL25139750 0.87 PKM (0.58) PKMHTTCA12CA1CA2
SCHEMBL2592861 0.87 PKM (1.00) PKMHTTCA12CA1CA2
SCHEMBL2031072 0.87 PKM (0.58) PKMHTTCA12CA1CA2
SCHEMBL6559195 0.85 CA12 (0.62) PKMHTTCA12CA1CA2
SCHEMBL30708151 0.85 CA12 (0.62) PKMHTTCA12CA1CA2
SCHEMBL3714733 0.85 CA12 (0.62) PKMHTTCA12CA1CA2
SCHEMBL6559478 0.83 CA12 (0.61) PKMHTTCA12CA1CA2
SCHEMBL7356053 0.83 CA12 (0.61) PKMHTTCA12CA1CA2
SCHEMBL25139651 0.83 PKM (0.54) PKMHTTCA12CA1CA2

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-12467928-B2 N-terminal modifier agents and binders for treating and analyzing peptides DF PEPTIDE ACQUISITION LLC 2025-11-11 US disclosed
US-20240377408-A1 N-TERMINAL MODIFIER AGENTS AND BINDERS FOR TREATING AND ANALYZING PEPTIDES DF PEPTIDE ACQUISITION LLC 2024-11-14 US disclosed
US-20220283175-A1 METALLOENZYMES FOR BIOMOLECULAR RECOGNITION OF N-TERMINAL MODIFIED PEPTIDES Encodia, Inc. (US) 2022-09-08 US disclosed