SCHEMBL6038592

SCHEMBL6038592

Cc1ccc(S(=O)(=O)Nc2ncc(-c3cccc([N+](=O)[O-])c3)nc2OCc2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.49
CYP19A1 P11511 1/20 0.47
CCR4 P51679 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN9A Q15858 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 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
SCHEMBL6038976 0.90 CCR4 (0.50) CCR4CYP1A2CYP3A4CYP2C19SCN9A
SCHEMBL6038894 0.88 CCR4 (0.49) CCR4SCN9AMAPTKDM4EALDH1A1
SCHEMBL6038834 0.88 CCR4 (0.44) CYP19A1CCR4SCN9AMAPTKDM4E
SCHEMBL6038463 0.87 CCR4 (0.48) CCR4SCN9AMAPTKDM4EALDH1A1
SCHEMBL6038593 0.87 CCR4 (0.48) CCR4SCN9AMAPTKDM4EALDH1A1
SCHEMBL6038816 0.87 CCR4 (0.50) CCR4SCN9AMAPTKDM4EALDH1A1
SCHEMBL6038813 0.87 CCR4 (0.52) CCR4SCN9AMAPTKDM4EALDH1A1
SCHEMBL6038792 0.87 CCR4 (0.47) CCR4CYP1A2CYP3A4CYP2C19SCN9A
SCHEMBL6038422 0.86 CCR4 (0.47) CCR4SCN9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6039093 0.86 CCR4 (0.47) CCR4SCN9AMAPTKDM4EALDH1A1

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 KMO 1139/4885CYP19A1 3606/4885CCR4 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.