SCHEMBL4082276

SCHEMBL4082276

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

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.63
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
CX3CR1 P49238 3/20 0.47
HTR1B P28222 1/20 0.47
CCR7 P32248 3/20 0.46

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
SCHEMBL2034982 0.89 CXCR2 (0.65) CXCR2LMNATP53MAPTCX3CR1
SCHEMBL4083126 0.89 CXCR2 (0.65) CXCR2CX3CR1CCR7
SCHEMBL4080498 0.86 CXCR2 (0.48) CXCR2CCR7
SCHEMBL2032479 0.84 CXCR2 (0.59) CXCR2LMNATP53MAPTCX3CR1
SCHEMBL4073844 0.82 CXCR2 (0.57) CXCR2CX3CR1
SCHEMBL5256529 0.82 CXCR2 (0.57) CXCR2LMNATP53MAPTCX3CR1
SCHEMBL4077480 0.82 CXCR2 (0.49) CXCR2LMNAMAPTCX3CR1CCR7
SCHEMBL6353636 0.82 CXCR2 (0.69) CXCR2LMNATP53MAPTCX3CR1
SCHEMBL4077242 0.80 CXCR2 (0.58) CXCR2
SCHEMBL4084677 0.80 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 11 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
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
EP-1539713-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004018435-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2004-03-04 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 (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 1/4885LMNA 4780/4885TP53 975/4885

“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.