SCHEMBL5454820

SCHEMBL5454820

O=C(Nc1cccc(Cl)c1Cl)Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1OC(=O)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.68
CX3CR1 P49238 1/20 0.45
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL5447468 0.88 CXCR2 (0.52) CXCR2PDK1PDK2PDK3PDK4
Trifluoroacetic Acid SCHEMBL4588697 0.83 CXCR2 (0.87) CXCR2CX3CR1
SCHEMBL6564144 0.81 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL27571726 0.76 CXCR2 (0.47) CXCR2CX3CR1
Elubrixin SCHEMBL30515706 0.75 CXCR2 (1.00) CXCR2
Elubrixin SCHEMBL1562280 0.75 CXCR2 (1.00) CXCR2
Elubrixin SCHEMBL1741720 0.74 CXCR2 (0.98) CXCR2
SCHEMBL1568743 0.74 CXCR2 (0.67) CXCR2
SCHEMBL4593429 0.73 CXCR2 (0.84) CXCR2CX3CR1
SCHEMBL4587568 0.72 CXCR2 (0.82) 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-20070249625-A1 Il-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2007-10-25 US claimed

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-20070249625-A1 Il-8 Receptor Antagonists CXCL8, CCR8, IL1RN CXCR2 9/4885CX3CR1 32/4885PDK1 3242/4885

“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.