SCHEMBL5227819

SCHEMBL5227819

Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
LMNA P02545 2/20 0.60
POLB P06746 1/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
BRD4 O60885 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 2/20 0.52
PIK3CB P42338 1/20 0.51
CCR2 P41597 2/20 0.50
HTT P42858 2/20 0.50
IDH1 O75874 1/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 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
SCHEMBL5227253 0.85 VCAM1 (0.57) ALDH1A1LMNAKMT2AMEN1ALOX15
SCHEMBL96167 0.84 ALDH1A1 (0.70) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL5227535 0.83 ALDH1A1 (0.69) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL7580299 0.82 ALDH1A1 (0.68) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL7573014 0.82 ALDH1A1 (0.68) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL7573187 0.81 ALDH1A1 (0.66) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL5228741 0.80 MEN1 (0.60) ALDH1A1KMT2AMEN1ALOX15MAPK1
SCHEMBL7573964 0.80 ALDH1A1 (0.65) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL4596394 0.78 CA2 (0.66) ALDH1A1LMNAKMT2AMEN1ALOX15
SCHEMBL5228757 0.78 ALDH1A1 (0.70) ALDH1A1LMNAKMT2AMEN1ALOX15

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 1973/4885LMNA 3783/4885POLB 1586/4885

“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.