SCHEMBL6038830

SCHEMBL6038830

COc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 7/20 0.72
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
QPCT Q16769 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
KIT P10721 1/20 0.38

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
SCHEMBL6039051 0.93 CCR4 (0.61) CCR4ALDH1A1KMT2AQPCTRAB9A
SCHEMBL6038556 0.88 CCR4 (0.54) CCR4ALDH1A1KMT2AUTS2RRAB9A
SCHEMBL6038499 0.85 CCR4 (0.82) CCR4EDNRA
SCHEMBL6038859 0.84 CCR4 (1.00) CCR4EDNRA
SCHEMBL6038846 0.84 CCR4 (1.00) CCR4EDNRA
SCHEMBL6038838 0.83 CCR4 (0.98) CCR4EDNRA
SCHEMBL6038661 0.82 CCR4 (0.85) CCR4EDNRA
SCHEMBL6038552 0.82 CCR4 (0.85) CCR4KMT2AEDNRA
SCHEMBL6038637 0.79 CCR4 (0.68) CCR4KMT2ASMN1; SMN2EDNRA
SCHEMBL6038532 0.78 CCR4 (0.79) CCR4EDNRA

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 CCR4 1/4885ALDH1A1 2902/4885KMT2A 4190/4885

“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.