SCHEMBL13406984

SCHEMBL13406984

CN(C)C(=O)c1cccc(NC2=NS(=O)(=O)N=C2N[C@@H](c2ccccc2)C2CC2)c1O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 19/20 0.67
▸ CXCR1 P25024 13/20 0.67
▸ CCR7 P32248 1/20 0.49
▸ CCR6 P51684 1/20 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
SCHEMBL13407385 0.95 CXCR2 (0.61) CXCR2CXCR1CCR7CCR6
SCHEMBL13407010 0.86 CXCR2 (0.53) CXCR2CXCR1CCR7
SCHEMBL13405726 0.85 CXCR1 (0.69) CXCR2CXCR1CCR7CCR6
SCHEMBL13407000 0.85 CXCR2 (0.51) CXCR2CXCR1CCR7
SCHEMBL13407334 0.85 CXCR2 (0.58) CXCR2CXCR1CCR7
SCHEMBL13406880 0.85 CXCR2 (0.64) CXCR2CXCR1CCR6
SCHEMBL13406904 0.85 CXCR2 (0.52) CXCR2CXCR1CCR7CCR6
SCHEMBL13406890 0.84 CXCR2 (0.71) CXCR2CXCR1CCR7
SCHEMBL13947848 0.84 CXCR2 (0.48) CXCR2CXCR1CCR7CCR6
SCHEMBL13406980 0.83 CXCR2 (0.54) CXCR2CXCR1CCR7CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 — — US disclosed
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 — — US disclosed
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 — — EP disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — 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-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 CXCR2 6/4885CXCR1 1/4885CCR7 22/4885

“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.

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