SCHEMBL3294141

SCHEMBL3294141

Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccccc2cc1OCc1ccc2c(c1)OCCN2C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ CCR4 P51679 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ MYLK Q15746 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL3292898 0.95 TP53 (0.47) TP53CCR4RXFP1LMNATHRB
SCHEMBL3299687 0.91 TP53 (0.46) TP53PTGES2PDE10ACCR4SCN9A
SCHEMBL3291827 0.91 TP53 (0.47) TP53PTGES2PDE10ACCR4SCN9A
SCHEMBL3293120 0.89 TP53 (0.49) TP53PTGES2CCR4SCN9ALMNA
SCHEMBL3291817 0.89 TP53 (0.46) TP53PTGES2PDE10ACCR4SCN9A
SCHEMBL3293198 0.89 TP53 (0.47) TP53PTGES2PDE10ACCR4SCN9A
SCHEMBL3290886 0.88 TP53 (0.52) TP53PTGES2CCR4SCN9ARXFP1
SCHEMBL3292229 0.88 TP53 (0.46) TP53PTGES2PDE10ACCR4SCN9A
SCHEMBL3294717 0.87 TP53 (0.49) TP53PTGES2PDE10ACCR4SCN9A
SCHEMBL3293614 0.86 TP53 (0.51) TP53PTGES2PDE10ACCR4SCN9A

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 2581/4885PTGES2 1314/4885PDE10A 1665/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 TP53 2581/4885PTGES2 1314/4885PDE10A 1665/4885

“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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