SCHEMBL3291978

SCHEMBL3291978

CN(C)CCOc1cc(COc2nc3ccccc3cc2NS(=O)(=O)c2cccc(Cl)c2Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 17/20 0.44
SLC40A1 Q9NP59 1/20 0.40
PTGES2 Q9H7Z7 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
SCHEMBL3294086 0.94 CCR4 (0.41) CCR4SLC40A1
SCHEMBL3291263 0.93 SLC40A1 (0.42) CCR4SLC40A1
SCHEMBL3298236 0.91 CCR4 (0.46) CCR4SLC40A1
SCHEMBL5796018 0.89 CCR4 (0.43) CCR4SLC40A1PTGES2
SCHEMBL3293145 0.89 CCR4 (0.50) CCR4
SCHEMBL3293214 0.88 UTS2R (0.45) CCR4SLC40A1
SCHEMBL3292776 0.86 CCR4 (0.54) CCR4
SCHEMBL3291660 0.86 CCR4 (0.49) CCR4SLC40A1
SCHEMBL3297308 0.85 CCR4 (0.40) CCR4SLC40A1
SCHEMBL3293034 0.84 SLC40A1 (0.44) CCR4SLC40A1

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 CCR4 2/4885SLC40A1 2070/4885PTGES2 1314/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 CCR4 2/4885SLC40A1 2070/4885PTGES2 1314/4885

“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.