SCHEMBL490193

SCHEMBL490193

C[C@H](CO)Nc1cc(N)nc(SCc2cccc(F)c2F)n1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.73
CCR7 P32248 2/20 0.59

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
SCHEMBL6354486 0.91 CXCR2 (0.61) CXCR2
SCHEMBL4080580 0.89 CXCR2 (0.73) CXCR2CCR7
SCHEMBL490327 0.85 CXCR2 (1.00) CXCR2
SCHEMBL489904 0.82 CXCR2 (0.52) CXCR2CCR7
SCHEMBL5191224 0.82 CXCR2 (0.69) CXCR2CCR7
SCHEMBL3853163 0.81 RAB9A (0.57) CXCR2CCR7
SCHEMBL489949 0.81 CXCR2 (0.71) CXCR2
SCHEMBL489536 0.79 CXCR2 (1.00) CXCR2
SCHEMBL489518 0.79 CXCR2 (1.00) CXCR2
SCHEMBL4084677 0.79 CXCR2 (0.70) CXCR2CCR7

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 10 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
EP-1419158-B1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
US-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity BONNERT ROGER VICTOR (GB) 2005-01-13 US disclosed
EP-1419158-A1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca AB (SE) 2004-05-19 EP disclosed
WO-2003024966-A1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-27 WO 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 (4 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 38/4885CCR7 31/4885
US-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity CCR5, CXCR3, CCR2 CXCR2 11/4885CCR7 6/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885CCR7 31/4885
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity CCR5, CXCR3, CCR2 CXCR2 11/4885CCR7 6/4885

“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.