SCHEMBL5597849

SCHEMBL5597849

COc1ccccc1CNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 3/20 0.55
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DDR1 Q08345 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5597922 0.92 CCR9 (0.56) CCR9ALDH1A1HPGDKDM4EMEN1
SCHEMBL14458165 0.92 CCR9 (0.54) CCR9ALDH1A1HPGDKDM4EGAA
SCHEMBL5597966 0.87 KCNA5 (0.58) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL5597984 0.86 KCNA5 (0.56) CCR9
SCHEMBL5598199 0.84 CCR9 (0.58) CCR9DDR1
SCHEMBL5598059 0.83 CCR9 (0.62) CCR9MEN1KMT2ALMNAMAPT
SCHEMBL5597986 0.82 CCR9 (0.58) CCR9ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3243266 0.80 CCR9 (0.70) CCR9LMNA
SCHEMBL14601702 0.80 CCR9 (0.56) CCR9HPGDKDM4EHTTMEN1
SCHEMBL14539482 0.80 KCNA5 (0.52)

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 11 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
EP-1465638-B1 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORP (US) 2007-05-16 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 3886/4885ALDH1A1 3045/4885HPGD 854/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 CCR9 4370/4885ALDH1A1 2163/4885HPGD 913/4885

“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.