SCHEMBL3294239

SCHEMBL3294239

CN(C)CCOc1cc(COc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
UTS2R Q9UKP6 1/20 0.45
PTGDR2 Q9Y5Y4 13/20 0.45
CCR4 P51679 1/20 0.43
AXL P30530 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3290530 0.90 CCR4 (0.46) RXFP1PTGDR2CCR4MEN1KMT2A
SCHEMBL3298114 0.90 PTGDR2 (0.44) RXFP1UTS2RPTGDR2CCR4AXL
SCHEMBL3293214 0.90 UTS2R (0.45) RXFP1UTS2RPTGDR2CCR4AXL
SCHEMBL3291249 0.89 PTGDR2 (0.43) RXFP1UTS2RPTGDR2CCR4AXL
SCHEMBL3293145 0.88 CCR4 (0.50) CCR4
SCHEMBL3291645 0.87 CCR4 (0.46) RXFP1PTGDR2CCR4MEN1KMT2A
SCHEMBL3293962 0.85 UTS2R (0.42) UTS2RPTGDR2CCR4AXLSLC22A12
SCHEMBL3295347 0.84 UTS2R (0.45) RXFP1UTS2RPTGDR2AXLSLC22A12
SCHEMBL3298187 0.84 CCR4 (0.61) RXFP1CCR4MEN1KMT2A
SCHEMBL3294221 0.83 PTGDR2 (0.45) UTS2RPTGDR2CCR4AXLSLC22A12

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 RXFP1 433/4885UTS2R 224/4885PTGDR2 681/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 RXFP1 433/4885UTS2R 224/4885PTGDR2 681/4885

“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.