SCHEMBL3300044

SCHEMBL3300044

Cc1ccc(S(=O)(=O)Nc2nc3c(nc2OCc2ccc(Cl)c(OCC4CCN(C)CC4)c2)CCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.42
CCR4 P51679 1/20 0.40
NMT1 P30419 4/20 0.37
SCN1A P35498 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
CD4 P01730 2/20 0.36
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PDE4D Q08499 1/20 0.35
UTS2R Q9UKP6 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
SCHEMBL3292765 0.99 EDNRA (0.43) EDNRACCR4NMT1SCN1ASCN8A
SCHEMBL3293946 0.89 CCR4 (0.46) EDNRACCR4NMT1SCN1ASCN8A
SCHEMBL3293357 0.88 MEN1 (0.47) EDNRACCR4
SCHEMBL3293638 0.88 PTGDR2 (0.42) EDNRACCR4KDM4AKDM5AKDM2B
SCHEMBL3298367 0.87 EDNRA (0.41) EDNRACCR4NMT1SCN1ASCN8A
SCHEMBL3297102 0.87 CCR4 (0.39) CCR4KDM4AKDM5A
SCHEMBL3293249 0.87 CCR4 (0.56) EDNRACCR4NMT1UTS2R
SCHEMBL3294882 0.87 PTGDR2 (0.42) EDNRACCR4KDM4AKDM5AKDM2B
SCHEMBL3294170 0.86 CCR4 (0.46) CCR4
SCHEMBL3291453 0.86 CCR4 (0.40) CCR4KDM4AKDM5A

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 EDNRA 386/4885CCR4 2/4885NMT1 1950/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 EDNRA 386/4885CCR4 2/4885NMT1 1950/4885

“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.