SCHEMBL13405729

SCHEMBL13405729

CC[C@@H](NC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 18/20 0.57
▸ CXCR1 P25024 7/20 0.57
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL13406943 0.90 CXCR2 (0.59) CXCR2CXCR1
SCHEMBL13406955 0.90 CXCR2 (0.67) CXCR2CXCR1
SCHEMBL13406958 0.89 CXCR2 (0.68) CXCR2CXCR1
SCHEMBL13405732 0.89 CXCR2 (0.48) CXCR2CXCR1
SCHEMBL13405684 0.85 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL12263135 0.85 CXCR2 (0.80) CXCR2CXCR1
SCHEMBL13406941 0.84 CXCR2 (0.70) CXCR2CXCR1KMT2A
SCHEMBL14450829 0.80 CXCR2 (0.78) CXCR2CXCR1
SCHEMBL12263126 0.79 CXCR2 (0.77) CXCR2CXCR1
SCHEMBL13406928 0.79 CXCR2 (0.65) CXCR2CXCR1TSHR

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 CXCR2 6/4885CXCR1 1/4885MEN1 4707/4885

“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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