SCHEMBL5227865

SCHEMBL5227865

O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
PGR P06401 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
DDX3X O00571 1/20 0.54
TYMS P04818 1/20 0.54
PPARG P37231 1/20 0.52
LMNA P02545 1/20 0.52
AR P10275 1/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
CYP19A1 P11511 1/20 0.50
FFAR1 O14842 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
SCHEMBL5228757 0.90 ALDH1A1 (0.70) ALDH1A1PGRCA1CA2MMP1
SCHEMBL5225855 0.86 FFAR4 (0.64) ALDH1A1CA1CA2KMT2AMEN1
SCHEMBL12789658 0.84 PPARG (0.64) ALDH1A1PGRCA1CA2MMP1
SCHEMBL4101284 0.80 PGR (0.78) ALDH1A1PGRCA1CA2MMP1
SCHEMBL27912548 0.80 FFAR4 (0.69) ALDH1A1CA2KMT2AMEN1LMNA
SCHEMBL10090765 0.80 ALDH1A1 (0.67) ALDH1A1PGRCA1CA2MMP1
SCHEMBL5233742 0.80 ALDH1A1 (0.71) ALDH1A1PGRCA1CA2MMP1
SCHEMBL18023816 0.78 DDX3X (0.67) ALDH1A1PGRCA1CA2MMP1
SCHEMBL5225886 0.78 VCAM1 (0.57) ALDH1A1CA1CA2PPARGLMNA
SCHEMBL1787275 0.77 MEN1 (0.69) ALDH1A1KMT2AMEN1LMNAGAA

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
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
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
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 ALDH1A1 1973/4885PGR 2531/4885CA1 3840/4885

“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.