SCHEMBL13207229

SCHEMBL13207229

CN1CCN(S(=O)(=O)c2c(Cl)ccc(Nc3n[s+]([O-])nc3N[C@@H](c3cc(Cl)co3)C(C)(C)C)c2O)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 8/20 0.42
▸ CCR6 P51684 11/20 0.41
▸ CXCR1 P25024 2/20 0.41
▸ CXCR3 P49682 2/20 0.41
▸ CCR4 P51679 2/20 0.41
▸ KDM1A O60341 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ATM Q13315 1/20 0.33

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
SCHEMBL13948385 0.94 CXCR2 (0.37) CXCR2CCR6CXCR1CXCR3CCR4
SCHEMBL13207227 0.94 CXCR2 (0.38) CXCR2CCR6CXCR1CXCR3CCR4
SCHEMBL13208237 0.88 CXCR2 (0.44) CXCR2CCR6CXCR1CXCR3CCR4
SCHEMBL13207212 0.87 CXCR2 (0.39) CXCR2CCR6CXCR1CXCR3CCR4
SCHEMBL13207114 0.85 CCR6 (0.52) CCR6
SCHEMBL13227100 0.82 CXCR2 (0.38) CXCR2CCR6CXCR1CXCR3CCR4
SCHEMBL13208234 0.81 CXCR2 (0.41) CXCR2CCR6CXCR1CXCR3CCR4
SCHEMBL13207214 0.80 CCR6 (0.51) CXCR2CCR6CXCR1CXCR3CCR4
SCHEMBL13948208 0.79 CCR6 (0.39) CXCR2CCR6CXCR1GAA
SCHEMBL13207222 0.78 CXCR2 (0.45) CXCR2CCR6CXCR1ALDH1A1GAA

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 9 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-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-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
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 (2 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 CXCR2 6/4885CCR6 21/4885CXCR1 4/4885
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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