SCHEMBL489790

SCHEMBL489790

C[C@H](CO)Nc1cc(N(COCC[Si](C)(C)C)S(=O)(=O)N2CCOCC2)nc(S(=O)(=O)Cc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.38
CX3CR1 P49238 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PIK3CA P42336 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
AKT1 P31749 1/20 0.31
MTOR P42345 1/20 0.31
TSHR P16473 1/20 0.31
NAPEPLD Q6IQ20 1/20 0.31

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
SCHEMBL489885 0.94 CXCR2 (0.39) CXCR2CX3CR1
SCHEMBL489852 0.94 CXCR2 (0.39) CXCR2CX3CR1
SCHEMBL490200 0.88 CXCR2 (0.42) CXCR2CX3CR1
SCHEMBL489724 0.86 CXCR2 (0.51) CXCR2CX3CR1
SCHEMBL490006 0.83 CXCR2 (0.38) CXCR2
SCHEMBL489923 0.80 CXCR2 (0.52) CXCR2CX3CR1
SCHEMBL489353 0.80 CXCR2 (0.52) CXCR2CX3CR1
SCHEMBL490012 0.76 CXCR2 (0.35) CXCR2
SCHEMBL489496 0.76 CXCR2 (0.35) CXCR2
SCHEMBL490253 0.73 CXCR2 (0.59) CXCR2CX3CR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 CXCR2 38/4885CX3CR1 96/4885CYP2C9 1786/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885CX3CR1 96/4885CYP2C9 1786/4885

“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.