SCHEMBL490113

SCHEMBL490113

C[C@@H]1CN(S(=O)(=O)Nc2cc(NC(C)(C)CO)nc(SCc3cccc(Cl)c3F)n2)C[C@H](C)N1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.58
CXCR1 P25024 2/20 0.45
CCR7 P32248 1/20 0.40
HTR1B P28222 1/20 0.38
CX3CR1 P49238 1/20 0.38
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL490114 1.00 CXCR2 (0.58) CXCR2CXCR1CCR7HTR1BCX3CR1
SCHEMBL13711676 0.92 CXCR2 (0.49) CXCR2CXCR1CCR7
SCHEMBL490349 0.87 CXCR2 (0.58) CXCR2CXCR1HTR1BCX3CR1MEN1
SCHEMBL490350 0.87 CXCR2 (0.58) CXCR2CXCR1HTR1BCX3CR1MEN1
SCHEMBL489550 0.86 CXCR2 (0.79) CXCR2CXCR1HTR1BCX3CR1
SCHEMBL489549 0.86 CXCR2 (0.79) CXCR2CXCR1HTR1BCX3CR1
SCHEMBL13711668 0.78 CXCR2 (0.67) CXCR2CXCR1
SCHEMBL1487200 0.77 CXCR2 (0.58) CXCR2CXCR1CCR7
SCHEMBL1487260 0.75 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL1645285 0.74 CXCR2 (0.62) 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 8 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-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-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-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 9/4885CCR7 31/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885CXCR1 9/4885CCR7 31/4885

“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.