SCHEMBL3294186

SCHEMBL3294186

CN(C)CCOc1cc(COc2nc3c(cc2NS(=O)(=O)c2ccccc2Cl)CN(C)CC3)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
CCR4 P51679 3/20 0.36
AXL P30530 3/20 0.35
ALK Q9UM73 4/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MAP4K1 Q92918 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3292075 0.94 CCR4 (0.39) CCR4
SCHEMBL3295342 0.94 CCR4 (0.36) ALDH1A1CCR4AXLALKHTT
SCHEMBL3294350 0.92 UTS2R (0.39) PTGDR2CCR4AXL
SCHEMBL3293831 0.88 CCR4 (0.48) ALDH1A1CCR4LMNAPOLBKMT2A
SCHEMBL3296954 0.88 CCR4 (0.44) ALDH1A1CCR4AXLALKNPSR1
SCHEMBL3292041 0.87 ALDH1A1 (0.37) ALDH1A1PTGDR2ALKMAP4K1
SCHEMBL3296435 0.83 AKT1 (0.37) CCR4ALKHTTPOLBNPSR1
SCHEMBL3294684 0.83 CCR4 (0.39) PTGDR2CCR4
SCHEMBL3293849 0.83 AKT1 (0.39) ALDH1A1PTGDR2CCR4AXLALK
SCHEMBL3290915 0.82 SLC40A1 (0.40) PTGDR2CCR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US disclosed
US-7732442-B2 Chemokine receptor antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1661889-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP 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-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF CCR5, CCR4, CCR1 ALDH1A1 2497/4885PTGDR2 681/4885CCR4 2/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 ALDH1A1 2497/4885PTGDR2 681/4885CCR4 2/4885

“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.