SCHEMBL29787231

SCHEMBL29787231

NS(=O)(=O)c1ccc(C(=O)O)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEU3 Q9UQ49 1/20 0.57
PKM P14618 1/20 0.54
CA2 P00918 10/20 0.50
CA1 P00915 8/20 0.50
CA9 Q16790 8/20 0.50
CA12 O43570 6/20 0.50
CA14 Q9ULX7 6/20 0.50
CA6 P23280 4/20 0.50
CA7 P43166 4/20 0.50
CA3 P07451 3/20 0.50
CA5A P35218 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
CYP2C19 P33261 1/20 0.50
CDC25B P30305 1/20 0.49
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
PTK2B Q14289 2/20 0.46
CA4 P22748 4/20 0.44

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
SCHEMBL2777527 1.00 NEU3 (0.57) NEU3PKMCA2CA1CA9
SCHEMBL941191 0.85 PKM (0.58) NEU3PKMCA2CA1CA9
SCHEMBL6514562 0.84 CA2 (0.46) NEU3PKMCA2CA1CA9
Hydrochloric Acid SCHEMBL11169517 0.84 PKM (0.57) NEU3PKMCA2CA1CA9
SCHEMBL29499772 0.81 LMNA (0.51) NEU3PKMCDC25BLMNAHTT
SCHEMBL4597784 0.81 LMNA (0.51) NEU3PKMCDC25BLMNAHTT
SCHEMBL3160473 0.81 LMNA (0.47) NEU3CA2CA1CA9CA12
SCHEMBL2776655 0.80 CA1 (0.51) PKMCA2CA1CA9CA12
SCHEMBL20680906 0.80 ERN1 (0.40) NEU3PKMCA2CA1CA9
SCHEMBL20680968 0.80 CA2 (0.56) CA2CA1CA9

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