SCHEMBL5227253

SCHEMBL5227253

O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.57
DNMT1 P26358 1/20 0.54
DNMT3A Q9Y6K1 1/20 0.54
HSPD1 P10809 2/20 0.53
PTPN2 P17706 2/20 0.53
PTPN1 P18031 2/20 0.53
PTPN5 P54829 2/20 0.53
HSPE1 P61604 2/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 2/20 0.52
SLC25A1 P53007 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL5225886 0.90 VCAM1 (0.57) VCAM1DNMT1DNMT3AHSPD1PTPN2
SCHEMBL5228187 0.85 VCAM1 (0.64) VCAM1DNMT1DNMT3AHSPD1PTPN2
SCHEMBL5227819 0.85 ALDH1A1 (0.65) KMT2AMEN1ALOX15MAPK1MAPT
SCHEMBL810667 0.83 MAPT (0.64) VCAM1DNMT1DNMT3AHSPD1PTPN2
SCHEMBL3619380 0.82 SLC25A1 (0.67) VCAM1DNMT1DNMT3AHSPD1PTPN2
SCHEMBL5225915 0.82 VCAM1 (0.64) VCAM1DNMT1DNMT3AHSPD1PTPN2
SCHEMBL5366196 0.80 MOGAT2 (0.51)
SCHEMBL5225868 0.80 VCAM1 (0.64) VCAM1DNMT1DNMT3AHSPD1PTPN2
SCHEMBL6677229 0.80 VCAM1 (0.60) VCAM1DNMT1DNMT3AHSPD1PTPN2
SCHEMBL6679999 0.80 VCAM1 (0.60) VCAM1DNMT1DNMT3AHSPD1PTPN2

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-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed
US-20050215548-A1 Capable of binding to the oncoprotein HDM2 and modulating the HDM2-dependent regulation of the tumour suppressor p53 and/or E2F transcription factors; e.g. 5-Chloro-4-nitro-thiophene-2-sulfonic acid (4-nitrophenyl)-amide CYCLACEL LIMITED (GB) 2005-09-29 US claimed
CN-1665802-A Bisarylsulfonamide compounds and their use in cancer therapy CYCLACEL LTD (GB) 2005-09-07 CN claimed
EP-1519932-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY Cyclacel Limited (GB) 2005-04-06 EP claimed
WO-2004005278-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LIMITED (GB) 2004-01-15 WO claimed
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP disclosed
US-20050215548-A1 Capable of binding to the oncoprotein HDM2 and modulating the HDM2-dependent regulation of the tumour suppressor p53 and/or E2F transcription factors; e.g. 5-Chloro-4-nitro-thiophene-2-sulfonic acid (4-nitrophenyl)-amide CYCLACEL LIMITED (GB) 2005-09-29 US disclosed
CN-1665802-A Bisarylsulfonamide compounds and their use in cancer therapy CYCLACEL LTD (GB) 2005-09-07 CN disclosed
EP-1519932-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY Cyclacel Limited (GB) 2005-04-06 EP disclosed
WO-2004005278-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LIMITED (GB) 2004-01-15 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-20050215548-A1 Capable of binding to the oncoprotein HDM2 and modulating the HDM2-dependent regulation of the tumour suppressor p53 and/or E2F transcription factors; e.g. 5-Chloro-4-nitro-thiophene-2-sulfonic acid (4-nitrophenyl)-amide CCNL2, TP53, MDM2 VCAM1 3715/4885DNMT1 1743/4885DNMT3A 2902/4885

“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.