SCHEMBL489780

SCHEMBL489780

O=S(=O)(Nc1cc(Cl)nc(SCc2cccc(Cl)c2F)n1)N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.75
CXCR1 P25024 1/20 0.47
POLB P06746 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL489576 0.89 CXCR2 (0.75) CXCR2CXCR1
SCHEMBL490272 0.89 CXCR2 (0.65) CXCR2CXCR1
SCHEMBL489669 0.87 CXCR2 (0.63) CXCR2CXCR1ALDH1A1
SCHEMBL489915 0.86 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL10205317 0.86 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL490349 0.83 CXCR2 (0.58) CXCR2CXCR1
SCHEMBL490350 0.83 CXCR2 (0.58) CXCR2CXCR1
SCHEMBL1487165 0.80 CXCR2 (0.72) CXCR2CXCR1POLBALDH1A1
SCHEMBL1487092 0.79 CXCR2 (0.71) CXCR2CXCR1POLBALDH1A1
SCHEMBL490017 0.79 CXCR2 (0.73) CXCR2CXCR1

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 38/4885CXCR1 9/4885POLB 1076/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885CXCR1 9/4885POLB 1076/4885

“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.