SCHEMBL3298217

SCHEMBL3298217

CN1CCC(COc2cc(COc3cncnc3NS(=O)(=O)c3ccccc3Cl)ccc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.42
KDR P35968 3/20 0.40
SRC P12931 3/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
UTS2R Q9UKP6 1/20 0.37
CCR4 P51679 1/20 0.37
CSK P41240 1/20 0.37
TEK Q02763 1/20 0.37
KDM4A O75164 1/20 0.36
KDM5A P29375 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
SCHEMBL3290768 0.94 CCR4 (0.45) EGFRKDRSRCCCR4
SCHEMBL3299560 0.93 EGFR (0.40) EGFRKDRSRCUTS2RCCR4
SCHEMBL3291958 0.91 KDR (0.41) EGFRKDRSRCPTGDR2
SCHEMBL3299685 0.88 CCR4 (0.40) EGFRKDRSRCPTGDR2UTS2R
SCHEMBL3295475 0.87 EGFR (0.40) EGFRKDRSRCUTS2RCCR4
SCHEMBL3293284 0.85 CCR4 (0.45) EGFRPTGDR2CCR4
SCHEMBL3297152 0.85 PTGDR2 (0.40) EGFRSRCPTGDR2CCR4KDM4A
SCHEMBL3294017 0.84 CCR4 (0.38) EGFRKDRSRCUTS2RCCR4
SCHEMBL3294882 0.83 PTGDR2 (0.42) EGFRPTGDR2UTS2RCCR4KDM4A
SCHEMBL3293638 0.83 PTGDR2 (0.42) EGFRPTGDR2UTS2RCCR4KDM4A

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 EGFR 1240/4885KDR 343/4885SRC 964/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 EGFR 1240/4885KDR 343/4885SRC 964/4885

“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.