SCHEMBL3293203

SCHEMBL3293203

Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2c(cc1OCc1ccc3c(c1)OCCN3C)CCC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ AKT1 P31749 1/20 0.37
▸ MYLK Q15746 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CCR4 P51679 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ HSD11B1 P28845 3/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35

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
SCHEMBL3294717 0.99 TP53 (0.49) TP53AKT1MYLKMAPK14CCR4
SCHEMBL3293182 0.95 TP53 (0.47) TP53AKT1MYLKMAPK14CCR4
SCHEMBL3295765 0.94 TP53 (0.47) TP53AKT1MYLKMAPK14CCR4
SCHEMBL3294799 0.92 TP53 (0.44) TP53AKT1MYLKMAPK14CCR4
SCHEMBL3295388 0.92 TP53 (0.45) TP53AKT1MYLKMAPK14CCR4
SCHEMBL3293223 0.89 TP53 (0.48) TP53AKT1MYLKMAPK14CCR4
SCHEMBL3293040 0.89 TP53 (0.52) TP53CCR4SCN9APTGES2HSD11B1
SCHEMBL3293263 0.88 TP53 (0.49) TP53AKT1MYLKMAPK14CCR4
SCHEMBL3295404 0.88 TP53 (0.53) TP53CCR4SCN9APTGES2HSD11B1
SCHEMBL3294732 0.87 TP53 (0.45) TP53AKT1MYLKMAPK14CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 — — US disclosed
US-7732442-B2 Chemokine receptor antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 — — US disclosed
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
EP-1661889-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 — — 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 (2 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-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF CCR5, CCR4, CCR1 TP53 2581/4885AKT1 714/4885MYLK 3704/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 TP53 2581/4885AKT1 714/4885MYLK 3704/4885

“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.

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