SCHEMBL13407360

SCHEMBL13407360

CC(C)(C)[C@@H](NC1=NS(=O)(=O)N=C1Nc1cccc(S(=O)(=O)c2ccccc2)c1O)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 7/20 0.42
▸ CXCR2 P25025 7/20 0.42
▸ CCR6 P51684 2/20 0.40
▸ HTR6 P50406 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13407368 0.84 CXCR1 (0.46) CXCR1CXCR2HTR6ALDH1A1
SCHEMBL13407370 0.81 CXCR1 (0.48) CXCR1CXCR2ALDH1A1
SCHEMBL13405687 0.79 CXCR2 (0.67) CXCR1CXCR2CCR6
SCHEMBL13405718 0.76 CCR6 (0.48) CXCR1CXCR2CCR6
SCHEMBL13406871 0.74 HTR6 (0.40) HTR6ALDH1A1
SCHEMBL13948037 0.74 CXCR1 (0.39) CXCR1CXCR2CCR6
SCHEMBL13407075 0.73 CXCR2 (0.49) CXCR1CXCR2CCR6
SCHEMBL13405703 0.73 CXCR1 (0.42) CXCR1CXCR2CCR6
SCHEMBL13947689 0.73 CXCR2 (0.49) CXCR1CXCR2CCR6
SCHEMBL13407054 0.73 CXCR1 (0.38) CXCR1CXCR2CCR6

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 4 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
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 CXCR1 1/4885CXCR2 6/4885CCR6 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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