SCHEMBL3296428

SCHEMBL3296428

CN1CCOc2cc(COc3nc4ccccc4nc3NS(=O)(=O)c3ccccc3Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ PTGES2 Q9H7Z7 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CCR4 P51679 3/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ LMNA P02545 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3298410 0.94 CCR4 (0.47) TP53PTGES2CCR4
SCHEMBL3293120 0.94 TP53 (0.49) TP53PTGES2MEN1KMT2ACCR4
SCHEMBL3293237 0.90 TP53 (0.43) TP53PTGES2CCR4PTGDR2LMNA
SCHEMBL3293552 0.90 TP53 (0.42) TP53PTGES2CCR4PTGDR2LMNA
SCHEMBL3293684 0.89 CCR4 (0.47) TP53PTGES2CCR4PTGDR2LMNA
SCHEMBL3294102 0.89 TP53 (0.47) TP53PTGES2PTGDR2LMNATHRB
SCHEMBL3291439 0.88 TP53 (0.48) TP53MEN1KMT2ACCR4LMNA
SCHEMBL3292180 0.88 PTGDR2 (0.48) PTGES2PTGDR2LMNATHRBRXFP1
SCHEMBL3294842 0.87 TP53 (0.46) TP53PTGES2CCR4LMNATHRB
SCHEMBL3293681 0.87 TP53 (0.46) TP53PTGES2CCR4LMNATHRB

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 1314/4885MEN1 3502/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 TP53 2581/4885PTGES2 1314/4885MEN1 3502/4885

“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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