SCHEMBL13406849

SCHEMBL13406849

COC1=NS(=O)(=O)N=C1Nc1cccc(S(=O)(=O)N2CCCCC2)c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13406852 0.99 SMN1; SMN2 (0.39) TSHRALDH1A1GAANPBWR1CYP3A4
SCHEMBL13406871 0.81 HTR6 (0.40) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL13406847 0.80 CCR6 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL12087068 0.75 CXCR2 (0.45) TSHRALDH1A1GAANPBWR1CYP3A4
SCHEMBL13407259 0.75 CXCR2 (0.47) —
SCHEMBL13407261 0.74 CXCR2 (0.48) KMT2A
SCHEMBL12087019 0.74 CXCR2 (0.45) TSHRALDH1A1GAANPBWR1CYP3A4
SCHEMBL13407263 0.74 CXCR2 (0.47) —
SCHEMBL13947887 0.73 MAPT (0.39) TSHRKMT2AMEN1MAPT
SCHEMBL13406844 0.72 CXCR2 (0.53) TSHRALDH1A1LMNAL3MBTL1KMT2A

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 384/4885ALDH1A1 348/4885GAA 4854/4885

“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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