SCHEMBL5598202

SCHEMBL5598202

COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
DNMT1 P26358 1/20 0.54
GPR27 Q9NS67 1/20 0.52
SLC10A2 Q12908 2/20 0.51
SLC10A1 Q14973 2/20 0.51
SLC10A6 Q3KNW5 2/20 0.51
STAT3 P40763 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
GAA P10253 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
SCHEMBL5597948 0.86 ALDH1A1 (0.58) ALDH1A1DNMT1GPR27SLC10A2SLC10A1
SCHEMBL5597943 0.85 DNMT1 (0.65) ALDH1A1DNMT1MAPTPOLBTDP1
SCHEMBL5597716 0.84 ALDH1A1 (0.59) ALDH1A1DNMT1SMN1; SMN2MEN1MAPT
SCHEMBL5598077 0.80 MAPT (0.61) ALDH1A1DNMT1SLC10A2SLC10A1SLC10A6
SCHEMBL7214447 0.80 SLC10A2 (0.65) ALDH1A1GPR27SLC10A2SLC10A1SLC10A6
SCHEMBL5597977 0.77 SLC10A6 (0.83) GPR27SLC10A2SLC10A1SLC10A6MEN1
SCHEMBL7213211 0.76 GPR27 (0.67) ALDH1A1GPR27SLC10A2SLC10A1SLC10A6
SCHEMBL27089455 0.76 SLC10A6 (0.75) DNMT1GPR27SLC10A2SLC10A1SLC10A6
SCHEMBL30777866 0.76 SLC10A6 (0.75) DNMT1GPR27SLC10A2SLC10A1SLC10A6
SCHEMBL5598179 0.73 SLC10A6 (0.59) ALDH1A1SLC10A2SLC10A1SLC10A6SMN1; SMN2

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 9 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
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 4884/4885GPR27 363/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 ALDH1A1 2163/4885DNMT1 4884/4885GPR27 549/4885

“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.