SCHEMBL6038947

SCHEMBL6038947

CSc1nccc(-c2ccc(S(=O)(=O)Nc3ncc(Br)nc3OCc3ccccc3)s2)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
PFKFB3 Q16875 1/20 0.51
CCR4 P51679 9/20 0.50
CCR5 P51681 1/20 0.47
CCKBR P32239 1/20 0.46
PFKFB4 Q16877 1/20 0.45
EDNRA P25101 2/20 0.42
MMP8 P22894 4/20 0.41
MMP3 P08254 2/20 0.41

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
SCHEMBL6038793 0.85 CCR4 (0.53) PFKFB3CCR4CCR5EDNRA
SCHEMBL6038701 0.82 CCR4 (0.51) PFKFB3CCR4CCR5EDNRA
SCHEMBL6038706 0.82 CCR4 (0.52) PFKFB3CCR4CCR5CCKBRPFKFB4
SCHEMBL6038600 0.81 CCR4 (0.60) CCR4CCR5EDNRA
SCHEMBL6038513 0.80 CCR4 (0.50) CCR4CCR5EDNRA
SCHEMBL6039005 0.80 CCR4 (0.73) CCR4CCR5EDNRA
SCHEMBL6038955 0.78 CCR4 (0.50) PFKFB3CCR4CCR5EDNRA
SCHEMBL6039417 0.78 CCR4 (0.54) PFKFB3CCR4CCR5EDNRA
SCHEMBL6038742 0.76 CCR4 (0.71) CCR4EDNRA
SCHEMBL6038522 0.76 CCR4 (0.69) CCR4CCR5EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004010-A1 Ccr4 antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1541563-A1 CCR4 ANTAGONIST AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 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 (1 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-20060004010-A1 Ccr4 antagonist and medical use thereof CCR4, CCR1, CCR9 GABRA1 1704/4885PFKFB3 3136/4885CCR4 1/4885

“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.