SCHEMBL3295353

SCHEMBL3295353

CN1CCC(COc2cc(COc3nc4ccccc4cc3NS(=O)(=O)c3ccccc3Cl)ccc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KDM4A O75164 2/20 0.39
KDM5A P29375 2/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PPARG P37231 2/20 0.38
EGFR P00533 2/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
HRH4 Q9H3N8 2/20 0.36
PKM P14618 1/20 0.36
SRC P12931 2/20 0.36
KDR P35968 1/20 0.36
BRD4 O60885 1/20 0.35
ABL1 P00519 1/20 0.35
ABL2 P42684 1/20 0.35
F2 P00734 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35

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
SCHEMBL3294898 0.95 CCR4 (0.40) KDM4AKDM5APIK3R1PIK3CAPPARG
SCHEMBL3293631 0.94 SLC40A1 (0.39) KDM4AKDM5APIK3R1PIK3CAPPARG
SCHEMBL3293727 0.92 PIK3R1 (0.39) ALDH1A1KDM4AKDM5APIK3R1PIK3CA
SCHEMBL3291021 0.91 SLC22A12 (0.39) KDM4AKDM5APIK3R1PIK3CAPPARG
SCHEMBL3297152 0.90 PTGDR2 (0.40) KDM4AKDM5AEGFRPTGDR2HRH4
SCHEMBL3294733 0.89 HRH4 (0.39) ALDH1A1KDM4AKDM5APIK3R1PIK3CA
SCHEMBL3292041 0.87 ALDH1A1 (0.37) ALDH1A1KDM4AKDM5APIK3R1PIK3CA
SCHEMBL3292960 0.86 CCR4 (0.42) KDM4AKDM5APIK3R1PIK3CAEGFR
SCHEMBL3294928 0.86 PIK3R1 (0.39) KDM4AKDM5APIK3R1PIK3CAPPARG
SCHEMBL3293023 0.85 SLC40A1 (0.41) KDM4AKDM5APIK3R1PIK3CAPPARG

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 2497/4885KDM4A 3466/4885KDM5A 4397/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 ALDH1A1 2497/4885KDM4A 3466/4885KDM5A 4397/4885

“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.