SCHEMBL5170233

SCHEMBL5170233

O=[N+]([O-])c1cc(C(F)(F)F)cc2c1sc(O)[n+]2[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.69
CYP3A4 P08684 3/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HIF1A Q16665 1/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
PTPN5 P54829 1/20 0.43
MTOR P42345 1/20 0.41
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40

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
Cyclapolin 9 SCHEMBL31560145 0.82 PLK1 (1.00) PLK1CYP3A4CYP2C9CYP2C19CYP1A2
Cyclapolin 9 SCHEMBL5055142 0.82 PLK1 (1.00) PLK1CYP3A4CYP2C9CYP2C19CYP1A2
Hydroxyamine SCHEMBL6275415 0.81 PLK1 (0.80) PLK1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5170301 0.80 PLK1 (1.00) PLK1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5172390 0.80 PLK1 (0.74) PLK1CYP3A4CYP2C9CYP2C19CYP1A2
Cyclapolin 10 SCHEMBL5173340 0.79 PLK1 (0.77) PLK1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5169861 0.79 PLK1 (0.69) PLK1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5173246 0.77 PLK1 (0.60) PLK1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5171055 0.76 PLK1 (1.00) PLK1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5172960 0.76 PLK1 (0.62) PLK1CYP3A4CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589967-B1 BENZTHIAZOLE-3 OXIDES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LTD (GB) 2007-05-09 EP claimed
JP-2006518361-A 2006-08-10 JP claimed
US-20060040997-A1 Benzthiazole-3 oxides useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2006-02-23 US claimed
EP-1589967-A1 BENZTHIAZOLE-3 OXIDES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2005-11-02 EP claimed
WO-2004067000-A1 BENZTHIAZOLE-3 OXIDES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2004-08-12 WO claimed
EP-1589967-B1 BENZTHIAZOLE-3 OXIDES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LTD (GB) 2007-05-09 EP disclosed
US-20060040997-A1 Benzthiazole-3 oxides useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2006-02-23 US disclosed
EP-1589967-A1 BENZTHIAZOLE-3 OXIDES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2005-11-02 EP disclosed
WO-2004067000-A1 BENZTHIAZOLE-3 OXIDES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2004-08-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060040997-A1 Benzthiazole-3 oxides useful for the treatment of proliferative disorders CBR3, FGFR3, CCNH PLK1 4291/4885CYP3A4 1540/4885CYP2C9 1141/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.