SCHEMBL29579451

SCHEMBL29579451

CC(C)(C)OC(=O)Nc1nc(CC(=O)O)c(C(F)(F)F)s1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LCK P06239 12/20 0.40
PI4KB Q9UBF8 1/20 0.39
GCK P35557 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL7424452 0.83 LCK (0.44) CA1CA2LCKPI4KB
SCHEMBL29556655 0.82 GCK (0.52) CA1CA2LCKPI4KBGCK
SCHEMBL25187541 0.81 CA1 (0.41) CA1CA2LCKPI4KB
SCHEMBL4257610 0.81 CA1 (0.41) CA1CA2LCKPI4KBGCK
SCHEMBL28889072 0.77 ALDH1A1 (0.46) LCKPI4KB
SCHEMBL25484173 0.76 LCK (0.39) CA1CA2LCKPI4KB
SCHEMBL17298800 0.75 CA1 (0.43) CA1CA2LCKPI4KB
SCHEMBL28889083 0.73 GCK (0.45) LCKPI4KBGCKPTGDR2
SCHEMBL3509100 0.73 LCK (0.46) CA1CA2LCKPI4KB
SCHEMBL29092934 0.72 LCK (0.47) LCKPI4KB

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
CN-114728953-B Beta-lactams, process for their preparation and their use as antibiotics 宁夏农林科学院 2024-04-09 CN disclosed
CN-114728953-A Beta-lactam compounds, process for their preparation and their use as antibiotics 宁夏农林科学院 2022-07-08 CN disclosed
EP-4007759-A1 BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS Ningxia Academy of Agriculture and Forestry Sciences (CN) 2022-06-08 EP disclosed