SCHEMBL3291801

SCHEMBL3291801

CCN1CCc2cc(NS(=O)(=O)c3cccc(Cl)c3C)c(OCc3ccc4c(c3)OCCN4C)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ MYLK Q15746 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ MLNR O43193 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ CCR4 P51679 1/20 0.35
▸ HSD11B1 P28845 2/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ EIF2AK3 Q9NZJ5 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33

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
SCHEMBL3294188 0.95 TP53 (0.46) TP53PTGES2AKT1MYLKMAPK14
SCHEMBL3295404 0.92 TP53 (0.53) TP53PTGES2SCN9ACCR4HSD11B1
SCHEMBL3293040 0.92 TP53 (0.52) TP53PTGES2SCN9ACCR4HSD11B1
SCHEMBL3294587 0.90 TP53 (0.49) TP53PTGES2AKT1MYLKMAPK14
SCHEMBL3294799 0.89 TP53 (0.44) TP53PTGES2AKT1MYLKMAPK14
SCHEMBL3298215 0.87 TP53 (0.51) TP53PTGES2CCR4HSD11B1SLC40A1
SCHEMBL3294975 0.87 TP53 (0.51) TP53PTGES2CCR4HSD11B1SLC40A1
SCHEMBL3295677 0.85 TP53 (0.47) TP53PTGES2AKT1MYLKMAPK14
SCHEMBL3291758 0.85 TP53 (0.49) TP53PTGES2SCN9AMLNRDRD3
SCHEMBL3299696 0.84 TP53 (0.48) TP53PTGES2SCN9ACCR4HSD11B1

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 1314/4885AKT1 714/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 TP53 2581/4885PTGES2 1314/4885AKT1 714/4885

“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.

Send feedback