SCHEMBL5504863

SCHEMBL5504863

O=C(C[n+]1ccc(CN2CC/C(=C\C3=C(C(=O)[O-])N4C(=O)[C@@H](NC(=O)CSc5nc6ccccc6s5)[C@H]4SC3)C2=O)cc1)Nc1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.40
CCR1 P32246 4/20 0.40
MAPT P10636 8/20 0.36
ALDH1A1 P00352 7/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP3A4 P08684 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2D6 P10635 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 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
SCHEMBL5504871 1.00 CCR3 (0.40) CCR3CCR1MAPTALDH1A1LMNA
SCHEMBL5501582 0.90 TDP1 (0.40) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL5501595 0.90 TDP1 (0.40) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL5507511 0.88 TDP1 (0.48) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL5507497 0.88 TDP1 (0.48) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL5500708 0.87 TDP1 (0.36) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL5500713 0.87 TDP1 (0.36) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL5505652 0.83 TDP1 (0.38) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL5505647 0.83 TDP1 (0.38) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL5504261 0.82 TDP1 (0.36) MAPTALDH1A1LMNATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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