SCHEMBL13406846

SCHEMBL13406846

COC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N2CCOCC2)c1O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ CXCR2 P25025 4/20 0.47
▸ CXCR1 P25024 2/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ CCR6 P51684 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 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
SCHEMBL13406844 0.90 CXCR2 (0.53) TSHRCXCR2CXCR1KMT2ALMNA
SCHEMBL13406860 0.84 CXCR2 (0.52) TSHRCXCR2CXCR1KMT2ALMNA
SCHEMBL13406845 0.82 ALDH1A1 (0.55) TSHRKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL13406857 0.82 CXCR2 (0.44) TSHRCXCR2CXCR1KMT2AMEN1
SCHEMBL13406855 0.81 CXCR2 (0.37) CXCR2CXCR1KMT2ACCR6ALDH1A1
SCHEMBL13439943 0.79 KMT2A (0.43) TSHRKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL13406941 0.78 CXCR2 (0.70) CXCR2CXCR1KMT2A
SCHEMBL13406144 0.78 CXCR2 (0.48) CXCR2CXCR1CCR6
SCHEMBL13406858 0.78 TRPV1 (0.42) CXCR2CXCR1CCR6LMNAPOLB
SCHEMBL13440327 0.76 CXCR2 (0.71) 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 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 TSHR 384/4885CXCR2 6/4885CXCR1 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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