SCHEMBL5597983

SCHEMBL5597983

Nc1cc(Br)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 5/20 0.60
FFAR4 Q5NUL3 3/20 0.56
WDR5 P61964 2/20 0.52
FFAR1 O14842 1/20 0.47
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.44
APP P05067 1/20 0.44
FBP1 P09467 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL5597820 0.81 CCR9 (0.72) CCR9WDR5KDM1A
SCHEMBL14458106 0.81 CCR9 (0.57) CCR9FFAR4WDR5KDM1AHDAC1
SCHEMBL7590053 0.81 FFAR4 (0.59) CCR9FFAR4WDR5HDAC1HDAC8
SCHEMBL3243266 0.81 CCR9 (0.70) CCR9FFAR4WDR5KDM1AHDAC1
SCHEMBL5597824 0.81 CCR9 (0.70) CCR9FFAR4WDR5KDM1AHDAC1
SCHEMBL28260430 0.77 CCR9 (0.52) CCR9FFAR4WDR5KDM1AHDAC1
SCHEMBL7595506 0.76 FFAR4 (0.57) CCR9FFAR4FBP1SMN1; SMN2
SCHEMBL14601694 0.76 FFAR4 (0.53) CCR9FFAR4HDAC1HDAC8PTGES2
SCHEMBL343895 0.76 CCR9 (1.00) CCR9KDM1A
SCHEMBL14601699 0.76 CCR9 (0.63) CCR9FFAR4WDR5KDM1AHDAC1

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 CCR9 3886/4885FFAR4 894/4885WDR5 600/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 CCR9 4370/4885FFAR4 2368/4885WDR5 1437/4885

“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.