SCHEMBL4069164

SCHEMBL4069164

NCCc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 9/20 0.49
PTPN1 P18031 2/20 0.46
KCNA5 P22460 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CYP19A1 P11511 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PKM P14618 1/20 0.38

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
SCHEMBL4243043 0.89 CXCR3 (0.50) CXCR3PTPN1KCNA5KMT2AMEN1
SCHEMBL3310850 0.88 KCNA5 (0.54) CXCR3PTPN1KCNA5KMT2AMEN1
SCHEMBL3314918 0.86 CYP19A1 (0.48) CXCR3PTPN1KCNA5KMT2AMEN1
SCHEMBL3312434 0.86 CXCR3 (0.46) CXCR3PTPN1KCNA5KMT2AMEN1
SCHEMBL2470278 0.81 KCNA5 (0.54) CXCR3PTPN1KCNA5KMT2AMEN1
SCHEMBL3308573 0.79 KCNA5 (0.51) CXCR3PTPN1KCNA5KMT2AMEN1
SCHEMBL12863383 0.79 CXCR3 (0.57) CXCR3PTPN1KCNA5KMT2AMEN1
SCHEMBL3312841 0.78 KCNA5 (0.48) CXCR3PTPN1KCNA5KMT2AMEN1
SCHEMBL2473634 0.78 KCNA5 (0.50) CXCR3PTPN1KCNA5KMT2AMEN1
SCHEMBL4026903 0.77 PTPN1 (0.49) CXCR3PTPN1KCNA5KMT2AMEN1

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-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CXCR3 1/4885PTPN1 3634/4885KCNA5 4503/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 CXCR3 3/4885PTPN1 3644/4885KCNA5 4421/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CXCR3 1/4885PTPN1 3634/4885KCNA5 4503/4885

“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.