SCHEMBL357681

SCHEMBL357681

COc1cccc2c1c(NS(=O)(=O)c1cccs1)nn2Cc1cccc(CNC(C)=O)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.77
CCR5 P51681 1/20 0.64
FFAR4 Q5NUL3 1/20 0.64
SLCO1B1 Q9Y6L6 1/20 0.64

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
SCHEMBL186058 0.90 CCR4 (0.64) CCR4CCR5FFAR4SLCO1B1
SCHEMBL356692 0.88 CCR4 (0.84) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186962 0.88 CCR4 (0.60) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357889 0.87 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186096 0.87 CCR4 (0.77) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186085 0.86 CCR4 (0.75) CCR4CCR5FFAR4SLCO1B1
SCHEMBL29977 0.85 CCR4 (0.72) CCR4CCR5FFAR4SLCO1B1
SCHEMBL29814 0.84 CCR4 (0.71) CCR4CCR5FFAR4SLCO1B1
SCHEMBL29953 0.84 CCR4 (0.71) CCR4CCR5FFAR4SLCO1B1
SCHEMBL185247 0.83 CCR4 (0.59) CCR4CCR5FFAR4SLCO1B1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP claimed
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 US disclosed
US-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 US disclosed
US-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US 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 (3 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-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 CCR4 1/4885CCR5 8/4885FFAR4 73/4885
US-20130030031-A1 Novel Compounds CYP3A4, CYP3A43, ABCG2 CCR4 3196/4885CCR5 1719/4885FFAR4 2349/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 CCR4 3196/4885CCR5 1719/4885FFAR4 2349/4885

“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.