SCHEMBL3293259

SCHEMBL3293259

COc1ccc(COc2nc3c(nc2NS(=O)(=O)c2cccc(Cl)c2C)N(C)CCO3)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 9/20 0.43
▸ ALPL P05186 7/20 0.40
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD11B1 P28845 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
SCHEMBL3296830 0.97 CCR4 (0.43) CCR4ALPLTP53ALDH1A1LMNA
SCHEMBL3294499 0.93 CCR4 (0.48) CCR4ALPLTP53
SCHEMBL3298158 0.90 CCR4 (0.48) CCR4ALPLTP53
SCHEMBL3299498 0.89 TP53 (0.47) CCR4TP53LMNAHSD11B1
SCHEMBL3291427 0.88 TP53 (0.48) CCR4TP53LMNAHSD11B1
SCHEMBL3296404 0.87 CCR4 (0.40) CCR4ALPLTP53HSD11B1
SCHEMBL3292780 0.87 CCR4 (0.36) CCR4TP53ALDH1A1GAAHSD11B1
SCHEMBL3297199 0.86 TP53 (0.47) CCR4TP53LMNAHSD11B1
SCHEMBL3294125 0.85 TP53 (0.48) CCR4TP53LMNAHSD11B1
SCHEMBL3298051 0.85 CCR4 (0.53) CCR4TP53HSD11B1

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 CCR4 2/4885ALPL 2930/4885TP53 2581/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 CCR4 2/4885ALPL 2930/4885TP53 2581/4885

“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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