SCHEMBL5597948

SCHEMBL5597948

COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)Nc2ccccc2F)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
DNMT1 P26358 1/20 0.57
TDP1 Q9NUW8 5/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
SLC10A2 Q12908 1/20 0.47
SLC10A1 Q14973 1/20 0.47
SLC10A6 Q3KNW5 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
RAB9A P51151 2/20 0.46
CASP6 P55212 1/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL5598202 0.86 ALDH1A1 (0.55) ALDH1A1DNMT1TDP1KMT2ALMNA
SCHEMBL5598077 0.84 MAPT (0.61) ALDH1A1DNMT1TDP1KMT2ALMNA
SCHEMBL5597943 0.83 DNMT1 (0.65) ALDH1A1DNMT1TDP1MAPTKDM4E
SCHEMBL5597716 0.82 ALDH1A1 (0.59) ALDH1A1DNMT1TDP1KMT2ALMNA
SCHEMBL2532347 0.76 KEAP1 (0.55) ALDH1A1DNMT1KMT2ALMNAMAPT
SCHEMBL7214447 0.74 SLC10A2 (0.65) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL9321100 0.74 LMNA (0.55) ALDH1A1DNMT1KMT2ALMNAMAPT
SCHEMBL14601700 0.72 CCR9 (0.54) ALDH1A1TDP1KMT2ALMNAMAPT
SCHEMBL5598236 0.72 SLC10A6 (0.86) ALDH1A1DNMT1LMNAMAPTSMN1; SMN2
SCHEMBL5597819 0.71 SLC25A1 (0.60) ALDH1A1DNMT1KMT2ALMNAMAPT

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-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 US disclosed
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 EP disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 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 (2 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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 ALDH1A1 3045/4885DNMT1 4884/4885TDP1 2674/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 ALDH1A1 2163/4885DNMT1 4884/4885TDP1 1851/4885

“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.