SCHEMBL5573871

SCHEMBL5573871

Cc1nc(Nc2ccc(NS(C)(=O)=O)cc2)ncc1CN1CCC(N2C(=O)OCC2c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.50
JAK2 O60674 9/20 0.41
JAK3 P52333 6/20 0.41
MARK3 P27448 1/20 0.39
MARK4 Q96L34 1/20 0.39
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PLK2 Q9NYY3 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DCLK1 O15075 1/20 0.37
MET P08581 1/20 0.37
MERTK Q12866 1/20 0.37
CCR4 P51679 1/20 0.36
PTK2 Q05397 1/20 0.36
GRIN1 Q05586 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
SCHEMBL5573866 1.00 CCR5 (0.50) CCR5JAK2JAK3MARK3MARK4
SCHEMBL5575430 0.90 CCR5 (0.52) CCR5MARK3MARK4CYP1A2CYP3A4
SCHEMBL5575422 0.90 CCR5 (0.52) CCR5MARK3MARK4CYP1A2CYP3A4
SCHEMBL5576325 0.88 CCR5 (0.40) CCR5JAK2JAK3METMERTK
SCHEMBL5576318 0.88 CCR5 (0.40) CCR5JAK2JAK3METMERTK
SCHEMBL14614478 0.87 CCR5 (0.49) CCR5MARK3MARK4PLK1PLK3
SCHEMBL5573803 0.82 CCR5 (0.55) CCR5CCR4GRIN1GRIN2B
SCHEMBL5573796 0.82 CCR5 (0.55) CCR5CCR4GRIN1GRIN2B
SCHEMBL14614317 0.77 CCR5 (0.54) CCR5CCR4
SCHEMBL14571235 0.76 CCR5 (0.55) CCR5CCR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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 (1 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CCR5 1/4885JAK2 1233/4885JAK3 2112/4885

“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.