SCHEMBL13208239

SCHEMBL13208239

CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(Cl)o2)C(C)(C)C)c1O

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 20/20 0.81
CXCR2 P25025 20/20 0.81
CCR7 P32248 1/20 0.57

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
SCHEMBL13208132 0.90 CXCR1 (1.00) CXCR1CXCR2CCR7
SCHEMBL13207080 0.87 CXCR1 (0.63) CXCR1CXCR2CCR7
SCHEMBL13208240 0.86 CXCR1 (0.80) CXCR1CXCR2CCR7
SCHEMBL13227180 0.86 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL13208166 0.86 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL13208180 0.85 CXCR1 (0.84) CXCR1CXCR2
SCHEMBL13208154 0.84 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL13208188 0.84 CXCR1 (0.76) CXCR1CXCR2
SCHEMBL13590583 0.83 CXCR2 (0.84) CXCR1CXCR2CCR7
SCHEMBL13208191 0.83 CXCR1 (0.75) CXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 US disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 US disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 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-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS CCR2, ACKR3, CX3CR1 CXCR1 4/4885CXCR2 6/4885CCR7 16/4885

“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.