SCHEMBL3299685

SCHEMBL3299685

CN1CCC(COc2cc(COc3cc(Br)cnc3NS(=O)(=O)c3ccccc3Cl)ccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.40
UTS2R Q9UKP6 4/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
EGFR P00533 4/20 0.39
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3298356 0.94 CCR4 (0.48) CCR4UTS2R
SCHEMBL3292913 0.91 PTGDR2 (0.40) CCR4UTS2RPTGDR2KDR
SCHEMBL3298217 0.88 EGFR (0.42) CCR4UTS2RPTGDR2EGFRKDM4A
SCHEMBL3294737 0.88 CCR4 (0.41) CCR4UTS2REGFRSRCKDR
SCHEMBL3293284 0.86 CCR4 (0.45) CCR4PTGDR2EGFR
SCHEMBL3297152 0.84 PTGDR2 (0.40) CCR4PTGDR2EGFRKDM4AKDM5A
SCHEMBL3294882 0.83 PTGDR2 (0.42) CCR4UTS2RPTGDR2EGFRKDM4A
SCHEMBL3293638 0.82 PTGDR2 (0.42) CCR4UTS2RPTGDR2EGFRKDM4A
SCHEMBL3290768 0.82 CCR4 (0.45) CCR4EGFRSRCKDR
SCHEMBL3299560 0.81 EGFR (0.40) CCR4UTS2REGFRKDM4AKDM5A

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 2/4885UTS2R 224/4885PTGDR2 681/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 CCR4 2/4885UTS2R 224/4885PTGDR2 681/4885

“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.