SCHEMBL4083126

SCHEMBL4083126

C[C@H](CO)Nc1nc(SCc2cccc(F)c2)nc(O)c1F

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.65
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CX3CR1 P49238 2/20 0.48
CCR7 P32248 3/20 0.47

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
SCHEMBL4082276 0.89 CXCR2 (0.63) CXCR2CX3CR1CCR7
SCHEMBL4077480 0.86 CXCR2 (0.49) CXCR2CX3CR1CCR7
SCHEMBL4080498 0.86 CXCR2 (0.48) CXCR2CCR7
SCHEMBL4076772 0.81 CXCR2 (0.58) CXCR2NPC1RAB9A
SCHEMBL4084677 0.81 CXCR2 (0.70) CXCR2CCR7
SCHEMBL2034982 0.78 CXCR2 (0.65) CXCR2CX3CR1
SCHEMBL2035042 0.75 CXCR2 (0.60) CXCR2CX3CR1CCR7
SCHEMBL2032479 0.74 CXCR2 (0.59) CXCR2CX3CR1CCR7
SCHEMBL5256624 0.73 CXCR2 (0.70) CXCR2CCR7
SCHEMBL4081135 0.72 CXCR2 (0.68) 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 8 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 claimed
EP-1539713-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-12-19 EP claimed
US-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-01-05 US claimed
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
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
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 1/4885NPC1 1665/4885RAB9A 1876/4885

“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.