SCHEMBL5483542

SCHEMBL5483542

CC(C)CC(CO)Nc1nc(SCc2ccccc2Cl)nc2[nH]c(=O)sc12

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.77
CX3CR1 P49238 16/20 0.77
HTR1B P28222 1/20 0.67

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
SCHEMBL5483535 1.00 CXCR2 (0.77) CXCR2CX3CR1HTR1B
SCHEMBL213765 0.87 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL5436819 0.86 CXCR2 (1.00) CXCR2CX3CR1HTR1B
SCHEMBL5484096 0.85 CXCR2 (0.83) CXCR2CX3CR1HTR1B
SCHEMBL5484101 0.85 CXCR2 (0.83) CXCR2CX3CR1HTR1B
SCHEMBL23828009 0.84 CXCR2 (0.77) CXCR2CX3CR1HTR1B
SCHEMBL31199187 0.84 CXCR2 (0.77) CXCR2CX3CR1HTR1B
SCHEMBL23828012 0.84 CXCR2 (0.77) CXCR2CX3CR1HTR1B
SCHEMBL5444488 0.82 CXCR2 (0.69) CXCR2CX3CR1HTR1B
SCHEMBL5237440 0.81 CX3CR1 (1.00) CXCR2CX3CR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142386-A1 New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 ASTRAZENECA (SE) 2007-06-21 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-20070142386-A1 New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 CX3CR1, CCR2, CXCR4 CXCR2 6/4885CX3CR1 1/4885HTR1B 641/4885

“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.