SCHEMBL3300382

SCHEMBL3300382

Cc1c(Cl)cccc1S(=O)(=O)Nc1cc2c(nc1OCc1ccc(Cl)c(OCC3CCN(C)CC3)c1)CCN(C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
AKT1 P31749 1/20 0.36
MYLK Q15746 1/20 0.36
MAPK14 Q16539 1/20 0.36
HSD11B1 P28845 5/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
CCR4 P51679 1/20 0.34
MAP3K14 Q99558 1/20 0.34
EGFR P00533 2/20 0.34
ALK Q9UM73 2/20 0.33
NPY5R Q15761 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL3291985 0.94 CCR4 (0.39) PIK3R1PIK3CAKDM4AKDM5ACCR4
SCHEMBL3292041 0.94 ALDH1A1 (0.37) PIK3R1PIK3CAKDM4AKDM5AMAP3K14
SCHEMBL3291722 0.93 PIK3R1 (0.38) PIK3R1PIK3CAAKT1MYLKMAPK14
SCHEMBL3293969 0.92 SLC40A1 (0.38) PIK3R1PIK3CAAKT1MYLKMAPK14
SCHEMBL3295504 0.91 AKT1 (0.36) PIK3R1PIK3CAAKT1MYLKMAPK14
SCHEMBL3294895 0.90 AKT1 (0.39) AKT1MYLKMAPK14HSD11B1HSD17B1
SCHEMBL3298722 0.89 SLC22A12 (0.38) PIK3R1PIK3CA
SCHEMBL3296059 0.88 DRD2 (0.38) PIK3R1PIK3CAKDM4AKDM5ACCR4
SCHEMBL3295342 0.88 CCR4 (0.36) AKT1MYLKMAPK14HSD11B1HSD17B1
SCHEMBL3297041 0.87 CCR4 (0.40) AKT1MYLKMAPK14HSD11B1HSD17B1

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 PIK3R1 2322/4885PIK3CA 1933/4885AKT1 714/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 PIK3R1 2322/4885PIK3CA 1933/4885AKT1 714/4885

“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.