SCHEMBL5500713

SCHEMBL5500713

O=C(C[n+]1ccc(CN2CCC(=CC3=C(C(=O)[O-])N4C(=O)[C@@H](NC(=O)CSc5cc(Cl)c(Cl)cc5Cl)[C@H]4SC3)C2=O)cc1)Nc1ccc(O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.36
MAPT P10636 6/20 0.36
CYP3A4 P08684 4/20 0.36
LMNA P02545 4/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 3/20 0.36
RECQL P46063 2/20 0.36
APEX1 P27695 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
NR1I2 O75469 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 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
SCHEMBL5500708 1.00 TDP1 (0.36) TDP1MAPTCYP3A4LMNAHSD17B10
SCHEMBL5502015 0.93 TDP1 (0.33) TDP1MAPTCYP3A4LMNAHSD17B10
SCHEMBL5507176 0.93 TDP1 (0.33) TDP1MAPTCYP3A4LMNAHSD17B10
SCHEMBL5501595 0.91 TDP1 (0.40) TDP1MAPTCYP3A4LMNAHSD17B10
SCHEMBL5501582 0.91 TDP1 (0.40) TDP1MAPTCYP3A4LMNAHSD17B10
SCHEMBL5507497 0.90 TDP1 (0.48) TDP1MAPTCYP3A4LMNAHSD17B10
SCHEMBL5507511 0.90 TDP1 (0.48) TDP1MAPTCYP3A4LMNAHSD17B10
SCHEMBL5505647 0.88 TDP1 (0.38) TDP1MAPTCYP3A4LMNAHSD17B10
SCHEMBL5505652 0.88 TDP1 (0.38) TDP1MAPTCYP3A4LMNAHSD17B10
SCHEMBL5504871 0.87 CCR3 (0.40) TDP1MAPTCYP3A4LMNAHSD17B10

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