SCHEMBL3292913

SCHEMBL3292913

CN1CCC(COc2cc(COc3cc(Br)cnc3NS(=O)(=O)c3ccccc3C(F)(F)F)ccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.40
SLC22A12 Q96S37 1/20 0.39
KDR P35968 2/20 0.38
SSTR4 P31391 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
CCR4 P51679 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
SCHEMBL3299685 0.91 CCR4 (0.40) PTGDR2KDRUTS2RCCR4
SCHEMBL3291958 0.89 KDR (0.41) PTGDR2KDR
SCHEMBL3298356 0.88 CCR4 (0.48) UTS2RCCR4
SCHEMBL3299551 0.87 PTGDR2 (0.41) PTGDR2SLC22A12CCR4
SCHEMBL3294849 0.85 RXFP1 (0.46) PTGDR2SLC22A12KDR
SCHEMBL3293545 0.84 PTGDR2 (0.40) PTGDR2KDR
SCHEMBL3294790 0.84 PTGDR2 (0.40) PTGDR2KDR
SCHEMBL3294737 0.84 CCR4 (0.41) KDRUTS2RCCR4
SCHEMBL3294221 0.82 PTGDR2 (0.45) PTGDR2SLC22A12UTS2RCCR4
SCHEMBL3291021 0.81 SLC22A12 (0.39) PTGDR2SLC22A12KDR

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 PTGDR2 681/4885SLC22A12 852/4885KDR 343/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 PTGDR2 681/4885SLC22A12 852/4885KDR 343/4885

“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.