SCHEMBL13406884

SCHEMBL13406884

CN(C)C(=O)c1cccc(NC2=NS(=O)(=O)N=C2NC2CCc3ccccc32)c1O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 13/20 0.68
▸ CCR6 P51684 4/20 0.61
▸ CXCR1 P25024 8/20 0.43
▸ MLLT3 P42568 1/20 0.42
▸ MLLT1 Q03111 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ CCR7 P32248 1/20 0.41

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
SCHEMBL13406883 0.95 CCR6 (0.69) CXCR2CCR6CXCR1TAS1R3TAS1R1
SCHEMBL13406875 0.81 CXCR2 (0.65) CXCR2CCR6CXCR1
SCHEMBL12262523 0.81 CXCR2 (1.00) CXCR2CCR6CXCR1CCR7
SCHEMBL13406876 0.81 CXCR2 (0.66) CXCR2CCR6CXCR1
SCHEMBL13405675 0.78 CXCR2 (0.63) CXCR2CCR6CXCR1
SCHEMBL12262467 0.76 CCR6 (1.00) CXCR2CCR6CXCR1CCR7
SCHEMBL20721281 0.76 CCR6 (1.00) CXCR2CCR6CXCR1CCR7
SCHEMBL12087174 0.76 CCR6 (1.00) CXCR2CCR6CXCR1CCR7
SCHEMBL13407269 0.75 CXCR2 (0.53) CXCR2CCR6CXCR1CCR7
SCHEMBL13406984 0.75 CXCR2 (0.67) CXCR2CCR6CXCR1CCR7

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 6/4885CCR6 24/4885CXCR1 1/4885

“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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