SCHEMBL5504445

SCHEMBL5504445

O=C(CSc1ncccn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3\CCN(C4CC4)C3=O)CS[C@H]12.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
NR1I2 O75469 1/20 0.42
MAPK1 P28482 1/20 0.39
SPOP O43791 5/20 0.38
SIGMAR1 Q99720 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5504485 0.98 CA5A (0.46) CA5ATDP1MAPTPOLBPKM
SCHEMBL5504460 0.92 TDP1 (0.44) CA5ATDP1MAPTPOLBPKM
SCHEMBL5502583 0.91 CA5A (0.44) CA5ATDP1MAPTPOLBPKM
SCHEMBL5502597 0.90 CA5A (0.44) CA5ATDP1MAPTPOLBPKM
SCHEMBL5506030 0.89 CA5A (0.46) CA5ATDP1MAPTPOLBPKM
SCHEMBL5510426 0.88 CA5A (0.45) CA5ATDP1MAPTPOLBPKM
SCHEMBL5506047 0.87 CA5A (0.46) CA5ATDP1MAPTPOLBPKM
SCHEMBL5510443 0.87 CA5A (0.45) CA5ATDP1MAPTPOLBPKM
SCHEMBL5506307 0.86 CA5A (0.49) CA5ATDP1MAPTPOLBPKM
SCHEMBL5500853 0.86 CA5A (0.49) CA5ATDP1MAPTPOLBPKM

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
EP-0841339-B1 Vinylpyrrolidinon cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2007-02-21 EP disclosed
US-6294668-B1 ANTIBACTERIAL ACTIVITY AGAINST BETA-LACTAM SENSITIVE AND RESISTANT GRAM-POSITIVE BACTERIA, SUCH AS STAPHYLOCOCCI, PNEUMOCOCCI, AND ENTEROCOCCI; USED IN THERAPY OF INFECTIOUS DISEASES CAUSED BY THOSE BACTERIA HOFFMAN-LA ROCHE INC. 2001-09-25 US disclosed
EP-0841339-A1 Vinylpyrrolidinon cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP disclosed