SCHEMBL13207018

SCHEMBL13207018

Cc1ccc(C(Nc2n[s+]([O-])nc2Nc2cccc(C(=O)N(C)C)c2O)C2CCCC2)o1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 20/20 0.65
▸ CXCR2 P25025 20/20 0.65
▸ CCR7 P32248 4/20 0.65
▸ CCR6 P51684 3/20 0.55
▸ CXCR3 P49682 2/20 0.55
▸ CCR4 P51679 1/20 0.55

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
SCHEMBL13208142 0.88 CXCR1 (0.70) CXCR1CXCR2CCR7CCR6CXCR3
SCHEMBL13207269 0.86 CXCR2 (0.48) CXCR1CXCR2CCR7CCR6CXCR3
SCHEMBL13207247 0.85 CXCR2 (0.46) CXCR1CXCR2CCR7CCR6CXCR3
SCHEMBL13207244 0.85 CXCR2 (0.48) CXCR1CXCR2CCR7CCR6CXCR3
SCHEMBL13440408 0.85 CXCR1 (0.67) CXCR1CXCR2CCR7CCR6CXCR3
SCHEMBL13947514 0.85 CXCR1 (0.67) CXCR1CXCR2CCR7CCR6CXCR3
SCHEMBL13207253 0.84 CXCR2 (0.57) CXCR1CXCR2CCR7CCR6CXCR3
SCHEMBL13207004 0.83 CXCR1 (0.77) CXCR1CXCR2CCR7CCR6CXCR3
SCHEMBL13207007 0.82 CXCR2 (0.77) CXCR1CXCR2CCR7
SCHEMBL12262779 0.82 CXCR1 (0.93) CXCR1CXCR2CCR7CCR6CXCR3

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 CXCR1 4/4885CXCR2 6/4885CCR7 16/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 CXCR1 1/4885CXCR2 6/4885CCR7 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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