SCHEMBL2042937

SCHEMBL2042937

CCC(C)(C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.34
CA1 P00915 8/20 0.34
CA12 O43570 5/20 0.34
CA9 Q16790 5/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL22797402 0.90 CCNA2 (0.32) CA2CA1CA12CA9CCNA2
SCHEMBL20001450 0.85 CA1 (0.31) CA2CA1CA12CA9CCNA2
SCHEMBL15463273 0.81 CA1 (0.30) CA2CA1CA12CA9
SCHEMBL25009830 0.81 CCNA2 (0.31) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL11044 0.79
SCHEMBL10457 0.79
SCHEMBL11899084 0.77 SLC6A2 (0.59)
SCHEMBL5951 0.76
SCHEMBL12986271 0.76 TGFBR1 (0.35) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL6036 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 CN disclosed
EP-3221300-A1 ANTIBACTERIAL BENZOTHIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2017-09-27 EP disclosed
WO-2016079688-A1 ANTIBACTERIAL BENZOTHIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-26 WO disclosed
EP-2683689-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-01-15 EP disclosed
EP-2512474-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-10-24 EP disclosed
WO-2012120397-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-09-13 WO disclosed
WO-2011073845-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-06-23 WO disclosed