SCHEMBL489779

SCHEMBL489779

COc1cccc(CSc2nc(Cl)cc(N(COCC[Si](C)(C)C)S(C)(=O)=O)n2)c1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.34
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALPL P05186 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APLNR P35414 1/20 0.31
CTSB P07858 1/20 0.30
RXRA P19793 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL489697 0.88 CXCR2 (0.34) CXCR2RXRAPPARDPPARA
SCHEMBL489714 0.81 CXCR2 (0.36) CXCR2ALDH1A1LMNACTSBRXRA
SCHEMBL489899 0.80 CXCR2 (0.44) CXCR2
SCHEMBL490031 0.79 CXCR2 (0.39) CXCR2RXRAPPARDPPARA
SCHEMBL489756 0.78 TDP1 (0.34) RXRAPPARDPPARA
SCHEMBL489702 0.77 CXCR2 (0.38) CXCR2
SCHEMBL489701 0.77 CXCR2 (0.38) CXCR2
SCHEMBL490206 0.76 ALPL (0.44) CXCR2POLBALDH1A1LMNAALPL
SCHEMBL4459471 0.73 CXCR2 (0.42) CXCR2LMNA
SCHEMBL4459467 0.72 CXCR2 (0.37) CXCR2

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 38/4885POLB 1076/4885ALDH1A1 2245/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885POLB 1076/4885ALDH1A1 2245/4885

“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.