SCHEMBL5228229

SCHEMBL5228229

O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.70
CRHR2 Q13324 1/20 0.70
FLT1 P17948 1/20 0.63
FLT4 P35916 1/20 0.63
KDR P35968 1/20 0.63
DDX3X O00571 1/20 0.61
FBP1 P09467 1/20 0.58
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
EEF2K O00418 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 3/20 0.55
KDM1A O60341 2/20 0.55
MEN1 O00255 1/20 0.55
NHERF1 O14745 1/20 0.53

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
SCHEMBL10529379 0.92 CRHBP (0.82) CRHBPCRHR2FLT1FLT4KDR
SCHEMBL11872858 0.86 DDX3X (0.71) CRHBPCRHR2FLT1FLT4KDR
SCHEMBL21328474 0.85 KDR (0.61) CRHBPCRHR2FLT1FLT4KDR
SCHEMBL28730744 0.84 CRHBP (0.62) CRHBPCRHR2FLT1FLT4KDR
SCHEMBL8309888 0.82 CRHBP (1.00) CRHBPCRHR2DDX3XCA2ALDH1A1
SCHEMBL5228114 0.82 ALDH1A1 (0.71) FLT1FLT4KDRDDX3XFBP1
SCHEMBL9515445 0.82 CRHBP (0.74) CRHBPCRHR2DDX3XALDH1A1KMT2A
SCHEMBL8248683 0.81 ALDH1A1 (0.65) FLT1FLT4KDRDDX3XFBP1
SCHEMBL10531035 0.80 CRHBP (0.75) CRHBPCRHR2DDX3XALDH1A1KMT2A
SCHEMBL7612721 0.79 CRHBP (0.70) CRHBPCRHR2DDX3XCA1CA2

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 CRHBP 2050/4885CRHR2 3057/4885FLT1 3283/4885

“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.