SCHEMBL4026903

SCHEMBL4026903

O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccc(CC(CO)CO)cc1)Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
KCNA5 P22460 1/20 0.49
CXCR3 P49682 10/20 0.47
HDAC3 O15379 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 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
SCHEMBL2470278 0.89 KCNA5 (0.54) PTPN1KCNA5CXCR3HDAC3HDAC11
SCHEMBL4023312 0.88 KCNA5 (0.47) PTPN1KCNA5CXCR3HDAC3HDAC11
SCHEMBL4354871 0.85 KCNA5 (0.45) PTPN1KCNA5CXCR3HDAC3HDAC11
SCHEMBL3310850 0.85 KCNA5 (0.54) PTPN1KCNA5CXCR3HDAC3HDAC11
SCHEMBL12863383 0.82 CXCR3 (0.57) PTPN1KCNA5CXCR3HDAC3HDAC11
SCHEMBL3308573 0.82 KCNA5 (0.51) PTPN1KCNA5CXCR3HDAC3HDAC11
SCHEMBL4243043 0.82 CXCR3 (0.50) PTPN1KCNA5CXCR3HDAC3HDAC11
SCHEMBL2473634 0.81 KCNA5 (0.50) PTPN1KCNA5CXCR3HDAC3HDAC11
SCHEMBL3312841 0.80 KCNA5 (0.48) PTPN1KCNA5CXCR3HDAC3HDAC11
SCHEMBL4069164 0.77 CXCR3 (0.49) PTPN1KCNA5CXCR3HDAC3HDAC11

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-1244648-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORP (US) 2009-04-15 EP disclosed
US-20070060591-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2007-03-15 US disclosed
US-7022717-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-04-04 US disclosed
US-20060069129-A1 Chemokine receptor binding heterocyclic compounds BRIDGER GARY J 2006-03-30 US disclosed
US-20040102428-A1 Chemokine receptor binding heterocyclic compounds ANORMED CORPORATION (CA) 2004-05-27 US disclosed
US-6667320-B2 For therapy of infalmmation; asthma, cancer, arthritis, multiple sclerosis; prophylaxis of infection of target cells by a human immunodeficiency virus (HIV) ANORMED (CA) 2003-12-23 US disclosed
EP-1244648-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-10-02 EP disclosed
US-20020077339-A1 Chemokine receptor binding heterocyclic compounds ANORMED CORPORATION (CA) 2002-06-20 US disclosed
WO-2001044229-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-06-21 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 (4 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-20070060591-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 PTPN1 4214/4885KCNA5 3461/4885CXCR3 7/4885
US-20040102428-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 PTPN1 4214/4885KCNA5 3461/4885CXCR3 7/4885
US-20020077339-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 PTPN1 4214/4885KCNA5 3461/4885CXCR3 7/4885
US-20060069129-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 PTPN1 4214/4885KCNA5 3461/4885CXCR3 7/4885

“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.