SCHEMBL3294732

SCHEMBL3294732

Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2c(cc1OCc1ccc3c(c1)OCCN3C)CCN2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ SCN9A Q15858 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ MYLK Q15746 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ CCR4 P51679 1/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ MLNR O43193 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL3295459 0.95 TP53 (0.44) TP53SCN9AAKT1MYLKMAPK14
SCHEMBL3291758 0.89 TP53 (0.49) TP53SCN9ACCR4PTGES2HSD11B1
SCHEMBL3293210 0.88 TP53 (0.45) TP53SCN9AAKT1MYLKMAPK14
SCHEMBL3294717 0.88 TP53 (0.49) TP53SCN9AAKT1MYLKMAPK14
SCHEMBL3293203 0.87 TP53 (0.48) TP53SCN9AAKT1MYLKMAPK14
SCHEMBL3295388 0.86 TP53 (0.45) TP53SCN9AAKT1MYLKMAPK14
SCHEMBL3293198 0.86 TP53 (0.47) TP53SCN9ACCR4PTGES2HSD11B1
SCHEMBL3291827 0.85 TP53 (0.47) TP53SCN9ACCR4PTGES2HSD11B1
SCHEMBL3294141 0.85 TP53 (0.48) TP53SCN9AAKT1MYLKMAPK14
SCHEMBL3294799 0.85 TP53 (0.44) TP53SCN9AAKT1MYLKMAPK14

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 2581/4885SCN9A 2485/4885AKT1 714/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 TP53 2581/4885SCN9A 2485/4885AKT1 714/4885

“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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