SCHEMBL6038944

SCHEMBL6038944

COc1ccc(S(=O)(=O)Nc2ncc(Br)nc2OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.50
EDNRA P25101 7/20 0.49
CCR4 P51679 10/20 0.49
AR P10275 1/20 0.48
RELA Q04206 1/20 0.47

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
SCHEMBL6038369 0.84 CCR4 (0.53) EDNRACCR4
SCHEMBL6038320 0.84 CCR4 (0.56) EDNRACCR4
SCHEMBL6038965 0.83 CCR4 (0.68) EDNRACCR4AR
SCHEMBL6038964 0.81 CCR4 (0.52) EDNRACCR4AR
SCHEMBL6039125 0.81 CCR4 (0.64) EDNRACCR4
SCHEMBL6039040 0.80 L3MBTL1 (0.51) EDNRACCR4RELA
SCHEMBL6039164 0.79 CCR4 (0.55) CCR4
SCHEMBL6039091 0.79 CCR4 (0.56) EDNRACCR4
SCHEMBL6038989 0.78 CCR4 (0.57) EDNRACCR4AR
SCHEMBL6038657 0.78 CCR4 (0.54) EDNRACCR4

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 SLC40A1 1661/4885EDNRA 512/4885CCR4 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.