SCHEMBL5598199

SCHEMBL5598199

O=C(NCc1ccc(OC(F)(F)F)cc1O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 6/20 0.58
WDR5 P61964 2/20 0.49
KDM1A O60341 1/20 0.46
SLC10A6 Q3KNW5 2/20 0.45
SLC10A2 Q12908 1/20 0.45
SLC10A1 Q14973 1/20 0.45
DDR1 Q08345 1/20 0.44
METAP2 P50579 2/20 0.43
ALOX12 P18054 2/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL5598059 0.86 CCR9 (0.62) CCR9WDR5KDM1ASLC10A6SLC10A2
SCHEMBL5597922 0.85 CCR9 (0.56) CCR9KDM1AMETAP2
SCHEMBL5597849 0.84 CCR9 (0.55) CCR9DDR1
SCHEMBL5597986 0.83 CCR9 (0.58) CCR9WDR5KDM1ASLC10A6SLC10A2
SCHEMBL14601702 0.81 CCR9 (0.56) CCR9KDM1A
SCHEMBL5597820 0.80 CCR9 (0.72) CCR9WDR5KDM1ASLC10A6SLC10A2
SCHEMBL14601699 0.80 CCR9 (0.63) CCR9WDR5KDM1ASLC10A6SLC10A2
SCHEMBL5597824 0.79 CCR9 (0.70) CCR9WDR5KDM1ASLC10A6SLC10A2
SCHEMBL3243266 0.79 CCR9 (0.70) CCR9WDR5KDM1ASLC10A6SLC10A2
SCHEMBL5597984 0.78 KCNA5 (0.56) CCR9SLC10A6SLC10A2SLC10A1METAP2

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-1465638-B1 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORP (US) 2007-05-16 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 CCR9 3886/4885WDR5 600/4885KDM1A 4216/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 CCR9 4370/4885WDR5 1437/4885KDM1A 4140/4885

“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.