SCHEMBL13207216

SCHEMBL13207216

CC[C@@H](Nc1n[s+]([O-])nc1Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1O)c1cc(C(C)C)co1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 16/20 0.39
▸ CXCR1 P25024 5/20 0.39
▸ CCR6 P51684 5/20 0.38
▸ CXCR3 P49682 2/20 0.35
▸ CCR4 P51679 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL14210375 0.89 CXCR2 (0.39) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL13227289 0.89 CXCR2 (0.39) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL13207971 0.88 CXCR2 (0.41) CXCR2CXCR1CCR6
SCHEMBL13207212 0.88 CXCR2 (0.39) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL13208227 0.88 CXCR2 (0.45) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL13208089 0.87 CXCR1 (0.46) CXCR2CXCR1
SCHEMBL13208003 0.87 CCR6 (0.48) CXCR2CXCR1CCR6
SCHEMBL13207237 0.87 CXCR2 (0.39) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL13947599 0.85 CXCR2 (0.38) CXCR2CCR6
SCHEMBL13207682 0.84 CXCR1 (0.36) CXCR2CXCR1

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 8 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
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 6/4885CXCR1 4/4885CCR6 21/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 CXCR2 6/4885CXCR1 1/4885CCR6 24/4885

“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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