SCHEMBL5502091

SCHEMBL5502091

O=C(C[n+]1ccc(CN2CC/C(=C\C3=C(C(=O)[O-])N4C(=O)[C@@H](NC(=O)CSc5ccc6ccccc6c5)[C@H]4SC3)C2=O)cc1)Nc1ccc(O)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.34
MAPT P10636 6/20 0.34
LMNA P02545 4/20 0.34
CYP3A4 P08684 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
RECQL P46063 2/20 0.34
HSD17B10 Q99714 2/20 0.34
APEX1 P27695 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.34
HDAC1 Q13547 3/20 0.33
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
NR1I2 O75469 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL5503352 1.00 TDP1 (0.34) TDP1MAPTLMNACYP3A4POLB
SCHEMBL5504896 0.94 TDP1 (0.37) TDP1MAPTLMNACYP3A4POLB
SCHEMBL5506800 0.94 TDP1 (0.37) TDP1MAPTLMNACYP3A4POLB
SCHEMBL5505652 0.93 TDP1 (0.38) TDP1MAPTLMNACYP3A4POLB
SCHEMBL5505647 0.93 TDP1 (0.38) TDP1MAPTLMNACYP3A4POLB
SCHEMBL5502352 0.93 TDP1 (0.34) TDP1MAPTLMNACYP3A4POLB
SCHEMBL5502344 0.93 TDP1 (0.34) TDP1MAPTLMNACYP3A4POLB
SCHEMBL5507217 0.92 TDP1 (0.36) TDP1MAPTLMNACYP3A4POLB
SCHEMBL5507229 0.92 TDP1 (0.36) TDP1MAPTLMNACYP3A4POLB
SCHEMBL5510566 0.92 TDP1 (0.35) TDP1MAPTLMNACYP3A4POLB

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 10 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 claimed
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 claimed
US-6150350-A CARBAPENEM ANTIBIOTIC AND BETA-LACTAMASE INHIBITOR, USEFUL FOR THE TREATMENT AND PROPHYLAXIS OF INFECTIOUS DISEASES HOFFMAN-LA ROCHE INC. (US) 2000-11-21 US claimed
EP-0841339-A1 Vinylpyrrolidinon cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP claimed
EP-0841339-B1 Vinylpyrrolidinon cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2007-02-21 EP disclosed
EP-0911030-B1 Antimicrobial composition comprising a vinyyl pyrrolidinon derivative and a carbapenem antibiotic or a beta-lactamase inhibitor BASILEA PHARMACEUTICA AG (CH) 2005-04-13 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
US-6150350-A CARBAPENEM ANTIBIOTIC AND BETA-LACTAMASE INHIBITOR, USEFUL FOR THE TREATMENT AND PROPHYLAXIS OF INFECTIOUS DISEASES HOFFMAN-LA ROCHE INC. (US) 2000-11-21 US disclosed
EP-0911030-A2 Antimicrobial composition comprising a vinyyl pyrrolidinon derivative and a carbapenem antibiotic or a beta-lactamase inhibitor F.HOFFMANN-LA ROCHE AG (CH) 1999-04-28 EP disclosed
EP-0841339-A1 Vinylpyrrolidinon cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP disclosed