SCHEMBL489917

SCHEMBL489917

CC[C@H](CO)Nc1cc(N(COCC[Si](C)(C)C)S(=O)(=O)N2CCN(C(=O)O)C(C(C)(C)C)C2)nc(SCc2cccc(Cl)c2F)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.43
CXCR1 P25024 1/20 0.33
HTR1B P28222 1/20 0.33
CX3CR1 P49238 1/20 0.33
CCR7 P32248 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
SCHEMBL4459467 0.88 CXCR2 (0.37) CXCR2HTR1BCX3CR1
SCHEMBL489918 0.86 CXCR2 (0.45) CXCR2CXCR1HTR1BCX3CR1
SCHEMBL489866 0.80 CXCR2 (0.65) CXCR2CXCR1HTR1BCX3CR1
SCHEMBL4459471 0.73 CXCR2 (0.42) CXCR2
SCHEMBL489702 0.72 CXCR2 (0.38) CXCR2CXCR1HTR1BCX3CR1
SCHEMBL489701 0.72 CXCR2 (0.38) CXCR2CXCR1HTR1BCX3CR1
SCHEMBL490248 0.70 CXCR2 (0.55) CXCR2CXCR1
SCHEMBL490347 0.70 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL489912 0.68 CXCR2 (0.83) CXCR2CXCR1HTR1BCX3CR1CCR7
SCHEMBL489899 0.68 CXCR2 (0.44) CXCR2CXCR1CCR7

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 9/4885HTR1B 2017/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885CXCR1 9/4885HTR1B 2017/4885

“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.