SCHEMBL13406883

SCHEMBL13406883

CN(C)C(=O)c1cccc(NC2=NS(=O)(=O)N=C2NC2CCCc3ccccc32)c1O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 4/20 0.69
▸ CXCR2 P25025 7/20 0.61
▸ TAS1R3 Q7RTX0 5/20 0.44
▸ TAS1R1 Q7RTX1 5/20 0.44
▸ TAS1R2 Q8TE23 3/20 0.44
▸ CD38 P28907 2/20 0.43
▸ CXCR1 P25024 3/20 0.42
▸ AURKA O14965 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ AURKB Q96GD4 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
SCHEMBL13406884 0.95 CXCR2 (0.68) CCR6CXCR2TAS1R3TAS1R1TAS1R2
SCHEMBL13406875 0.82 CXCR2 (0.65) CCR6CXCR2CXCR1
SCHEMBL20721281 0.81 CCR6 (1.00) CCR6CXCR2CXCR1
SCHEMBL12262467 0.81 CCR6 (1.00) CCR6CXCR2CXCR1
SCHEMBL12087174 0.81 CCR6 (1.00) CCR6CXCR2CXCR1
SCHEMBL13406876 0.81 CXCR2 (0.66) CCR6CXCR2CXCR1
SCHEMBL13405675 0.76 CXCR2 (0.63) CCR6CXCR2CXCR1
SCHEMBL12262523 0.76 CXCR2 (1.00) CCR6CXCR2CXCR1
SCHEMBL13406874 0.75 CXCR2 (0.61) CCR6CXCR2CXCR1
SCHEMBL13407269 0.74 CXCR2 (0.53) CCR6CXCR2CXCR1

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 CCR6 24/4885CXCR2 6/4885TAS1R3 599/4885

“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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