SCHEMBL3293697

SCHEMBL3293697

CN1CCOc2cc(COc3nc4ccncc4cc3NS(=O)(=O)c3ccccc3Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ PTGES2 Q9H7Z7 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CCR4 P51679 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ EIF2AK3 Q9NZJ5 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 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
SCHEMBL3294718 0.94 TP53 (0.44) TP53PTGES2PDE10ACYP11B1CYP11B2
SCHEMBL3291703 0.94 TP53 (0.49) TP53PTGES2PDE10ACYP11B1CYP11B2
SCHEMBL3294102 0.92 TP53 (0.47) TP53PTGES2PDE10AALDH1A1PTGDR2
SCHEMBL3293321 0.89 PTGDR2 (0.42) TP53PTGES2PDE10APTGDR2SCN9A
SCHEMBL3293130 0.88 TP53 (0.48) TP53PTGES2CCR4SCN9A
SCHEMBL3293335 0.87 TP53 (0.47) TP53PTGES2CCR4EIF2AK3SCN9A
SCHEMBL3290886 0.86 TP53 (0.52) TP53PTGES2CCR4LMNATHRB
SCHEMBL3291335 0.86 KMT2A (0.44) PTGES2PDE10AALDH1A1LMNAEIF2AK3
SCHEMBL3296428 0.84 TP53 (0.44) TP53PTGES2PDE10ACCR4PTGDR2
SCHEMBL3293681 0.82 TP53 (0.46) TP53PTGES2PDE10ACYP11B1CYP11B2

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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