SCHEMBL3294718

SCHEMBL3294718

CN1CCOc2cc(COc3nc4ccncc4cc3NS(=O)(=O)c3cccc(Cl)c3Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ CCR4 P51679 11/20 0.43
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 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
SCHEMBL3293697 0.94 TP53 (0.44) TP53CCR4PTGES2PDE10ASCN9A
SCHEMBL3291703 0.94 TP53 (0.49) TP53CCR4PTGES2PDE10ASCN9A
SCHEMBL3293335 0.91 TP53 (0.47) TP53CCR4PTGES2SCN5ASCN9A
SCHEMBL3293130 0.89 TP53 (0.48) TP53CCR4PTGES2SCN9ASLC40A1
SCHEMBL3293321 0.86 PTGDR2 (0.42) TP53PTGES2PDE10ASCN9ASLC40A1
SCHEMBL3294102 0.86 TP53 (0.47) TP53PTGES2PDE10A
SCHEMBL3290886 0.85 TP53 (0.52) TP53CCR4PTGES2SCN9ASLC40A1
SCHEMBL3291335 0.84 KMT2A (0.44) PTGES2PDE10ASCN9A
SCHEMBL3298410 0.84 CCR4 (0.47) TP53CCR4PTGES2
SCHEMBL3293681 0.82 TP53 (0.46) TP53CCR4PTGES2PDE10ASCN9A

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 2581/4885CCR4 2/4885PTGES2 1314/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 TP53 2581/4885CCR4 2/4885PTGES2 1314/4885

“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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