SCHEMBL5503306

SCHEMBL5503306

O=C(CSc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1C(=O)N2C(C(=O)O)=C(C=C3CCN(CC4CC4)C3=O)CS[C@H]12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA5A P35218 1/20 0.41
NR1I2 O75469 1/20 0.39
SPOP O43791 10/20 0.37
NAPEPLD Q6IQ20 1/20 0.37
MAPK1 P28482 2/20 0.37
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
KDR P35968 1/20 0.36
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5508354 1.00 POLB (0.42) POLBMAPTPKMHTTDUSP3
SCHEMBL5502024 0.87 CA5A (0.50) POLBMAPTPKMHTTDUSP3
SCHEMBL5502011 0.87 CA5A (0.50) POLBMAPTPKMHTTDUSP3
SCHEMBL5502573 0.85 TDP1 (0.45) POLBMAPTPKMHTTDUSP3
SCHEMBL5502563 0.85 TDP1 (0.45) POLBMAPTPKMHTTDUSP3
SCHEMBL5510443 0.85 CA5A (0.45) POLBMAPTPKMHTTDUSP3
SCHEMBL5510426 0.85 CA5A (0.45) POLBMAPTPKMHTTDUSP3
SCHEMBL5510593 0.85 CA5A (0.60) POLBMAPTPKMHTTDUSP3
SCHEMBL5510598 0.85 CA5A (0.60) POLBMAPTPKMHTTDUSP3
SCHEMBL5506499 0.85 TDP1 (0.46) POLBMAPTPKMHTTDUSP3

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 6 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
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
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