SCHEMBL3293545

SCHEMBL3293545

CN1CCC(COc2cc(COc3nc4c(nc3NS(=O)(=O)c3ccccc3C(F)(F)F)CCCC4)ccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.40
RXFP1 Q9HBX9 2/20 0.37
KDR P35968 1/20 0.37
POLB P06746 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
SCHEMBL3294790 0.99 PTGDR2 (0.40) PTGDR2RXFP1KDRPOLB
SCHEMBL3294849 0.91 RXFP1 (0.46) PTGDR2RXFP1KDR
SCHEMBL3294882 0.91 PTGDR2 (0.42) PTGDR2
SCHEMBL3293638 0.90 PTGDR2 (0.42) PTGDR2
SCHEMBL3299551 0.90 PTGDR2 (0.41) PTGDR2RXFP1POLB
SCHEMBL3300223 0.88 CCR4 (0.46)
SCHEMBL3291453 0.88 CCR4 (0.40) PTGDR2
SCHEMBL3294170 0.88 CCR4 (0.46)
SCHEMBL3297102 0.87 CCR4 (0.39) PTGDR2
SCHEMBL3298722 0.87 SLC22A12 (0.38) PTGDR2RXFP1KDRPOLB

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 681/4885RXFP1 433/4885KDR 343/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 PTGDR2 681/4885RXFP1 433/4885KDR 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.