SCHEMBL6038556

SCHEMBL6038556

COc1ccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.54
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 1/20 0.42
SYK P43405 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
KIT P10721 2/20 0.40
AXL P30530 1/20 0.40
MET P08581 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
UTS2R Q9UKP6 1/20 0.40

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 0.91 CCR4 (0.61) CCR4ALDH1A1KMT2ASYKRAB9A
SCHEMBL6038830 0.88 CCR4 (0.72) CCR4ALDH1A1KMT2ARAB9AKIT
SCHEMBL6038688 0.85 RAB9A (0.48) ALDH1A1KMT2ARAB9A
SCHEMBL6039150 0.82 CCR4 (0.77) CCR4KMT2A
SCHEMBL6038508 0.81 CCR4 (0.65) CCR4ALDH1A1KMT2A
SCHEMBL6039359 0.81 CCR4 (0.65) CCR4KMT2A
SCHEMBL6038730 0.77 KDM4E (0.47) ALDH1A1
SCHEMBL6038970 0.77 CCR4 (0.59) CCR4ALDH1A1KMT2A
SCHEMBL6038969 0.76 CCR4 (0.65) CCR4KMT2A
SCHEMBL6039464 0.76 MBTD1 (0.49) ALDH1A1KMT2A

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.