SCHEMBL4076997

SCHEMBL4076997

C[C@H](CO)Nc1cc(O)nc(SCc2ccc(F)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.57
HTT P42858 1/20 0.49

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
SCHEMBL4085933 0.88 CXCR2 (0.53) CXCR2
SCHEMBL5261812 0.88 CXCR2 (0.73) CXCR2
SCHEMBL2037174 0.88 CXCR2 (0.73) CXCR2
SCHEMBL4076772 0.87 CXCR2 (0.58) CXCR2
SCHEMBL4077242 0.81 CXCR2 (0.58) CXCR2
SCHEMBL4080580 0.80 CXCR2 (0.73) CXCR2
SCHEMBL14645653 0.79 HTT (0.65) HTT
SCHEMBL4077480 0.79 CXCR2 (0.49) CXCR2HTT
SCHEMBL13067223 0.75 HTT (0.79) HTT
SCHEMBL489949 0.75 CXCR2 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482355-B2 Asthma, antiallergens; rheumatoid arthritis and atherosclerosis; 2-(Benzylthio)-6-{[(1R)-2-hydroxy-1-methylethyl]amino}-4-pyrimidinol ASTRAZENECA AB (SE) 2009-01-27 US disclosed
EP-1539713-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-12-19 EP disclosed
US-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-01-05 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 (1 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-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity CXCR2, CXCR1, ACKR3 CXCR2 1/4885HTT 4620/4885

“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.