SCHEMBL490004

SCHEMBL490004

COc1cccc(CSc2nc(NC(C)(C)CO)cc(NS(=O)(=O)c3cn(C)c(C)n3)n2)c1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CXCR2 P25025 8/20 0.43
CYP17A1 P05093 1/20 0.38
TRIM24 O15164 5/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 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
SCHEMBL10205485 0.92 CXCR2 (0.49) TDP1CXCR2CYP17A1TRIM24
SCHEMBL489847 0.86 CXCR2 (0.59) TDP1CXCR2
SCHEMBL489886 0.85 CXCR2 (0.49) TDP1CXCR2
SCHEMBL10205483 0.79 CXCR2 (0.66) TDP1CXCR2
SCHEMBL10205479 0.77 CXCR2 (0.55) TDP1CXCR2
SCHEMBL489733 0.70 CXCR2 (0.80) CXCR2
SCHEMBL10205335 0.70 CXCR2 (0.80) CXCR2
SCHEMBL1487297 0.70 CXCR2 (0.61) CXCR2
SCHEMBL14601157 0.70 CXCR2 (0.61) CXCR2
SCHEMBL489950 0.69 CXCR2 (0.58) 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 TDP1 3869/4885CXCR2 38/4885CYP17A1 608/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 TDP1 3869/4885CXCR2 38/4885CYP17A1 608/4885

“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.