SCHEMBL3292789

SCHEMBL3292789

Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2nccnc2cc1OCc1ccc2c(c1)N(C)CCO2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ CCR4 P51679 1/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ EDNRB P24530 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ MYLK Q15746 1/20 0.35
▸ MAPK14 Q16539 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
SCHEMBL3293198 0.95 TP53 (0.47) TP53CCR4SCN9AHSD11B1SLC40A1
SCHEMBL3291825 0.92 TP53 (0.46) TP53CCR4PTGDR2SCN9AHSD11B1
SCHEMBL3292129 0.89 TP53 (0.49) TP53CCR4SCN9AHSD11B1SLC40A1
SCHEMBL3292898 0.89 TP53 (0.47) TP53CCR4PTGDR2HSD11B1SLC40A1
SCHEMBL3291273 0.88 TP53 (0.44) TP53CCR4SCN9AHSD11B1SLC40A1
SCHEMBL3293365 0.87 TP53 (0.46) TP53CCR4SCN9AHSD11B1SLC40A1
SCHEMBL3292918 0.87 TP53 (0.49) TP53CCR4PTGDR2SCN9AHSD11B1
SCHEMBL3291827 0.87 TP53 (0.47) TP53CCR4SCN9AHSD11B1SLC40A1
SCHEMBL3298329 0.87 TP53 (0.45) TP53CCR4SCN9AHSD11B1SLC40A1
SCHEMBL3294706 0.87 TP53 (0.45) TP53CCR4SCN9AHSD11B1KMT2A

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 3 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

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 2/4885PTGDR2 681/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 TP53 2581/4885CCR4 2/4885PTGDR2 681/4885

“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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