SCHEMBL489582

SCHEMBL489582

CC[C@@H](C)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2)nc(SCc2ccccc2)n1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.84
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL10205256 0.91 CXCR2 (1.00) CXCR2LMNA
SCHEMBL489741 0.91 CXCR2 (0.73) CXCR2
SCHEMBL489873 0.90 CXCR2 (0.69) CXCR2LMNAMAPTNPSR1MAPK1
SCHEMBL489981 0.88 CXCR2 (0.85) CXCR2KDM4E
SCHEMBL490293 0.86 CXCR2 (0.64) CXCR2LMNA
SCHEMBL489450 0.84 CXCR2 (1.00) CXCR2
SCHEMBL489525 0.83 CXCR2 (0.86) CXCR2
SCHEMBL12096404 0.83 CXCR2 (0.86) CXCR2
SCHEMBL489910 0.83 CXCR2 (0.82) CXCR2
SCHEMBL489983 0.83 CXCR2 (0.64) 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 38/4885LMNA 4818/4885MAPT 3551/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885LMNA 4818/4885MAPT 3551/4885

“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.