SCHEMBL3291985

SCHEMBL3291985

CN1CCC(COc2cc(COc3nc4c(cc3NS(=O)(=O)c3cccc(Cl)c3Cl)CN(C)CC4)ccc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 12/20 0.39
SGK1 O00141 2/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
GHSR Q92847 1/20 0.36
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
MAP3K14 Q99558 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL3292041 0.94 ALDH1A1 (0.37) PIK3R1PIK3CAKDM4AKDM5AMAP3K14
SCHEMBL3300382 0.94 PIK3R1 (0.37) CCR4PIK3R1PIK3CAKDM4AKDM5A
SCHEMBL3298722 0.89 SLC22A12 (0.38) PIK3R1PIK3CA
SCHEMBL3292075 0.87 CCR4 (0.39) CCR4GHSR
SCHEMBL3296059 0.87 DRD2 (0.38) CCR4PIK3R1PIK3CAKDM4AKDM5A
SCHEMBL3291722 0.86 PIK3R1 (0.38) CCR4PIK3R1PIK3CAKDM4AKDM5A
SCHEMBL3294898 0.86 CCR4 (0.40) CCR4SGK1PIK3R1PIK3CAKDM4A
SCHEMBL3300223 0.86 CCR4 (0.46) CCR4
SCHEMBL3293969 0.86 SLC40A1 (0.38) CCR4PIK3R1PIK3CAKDM4AKDM5A
SCHEMBL3294170 0.85 CCR4 (0.46) CCR4

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 CCR4 2/4885SGK1 1654/4885PIK3R1 2322/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 CCR4 2/4885SGK1 1654/4885PIK3R1 2322/4885

“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.