SCHEMBL13407253

SCHEMBL13407253

CC[C@@H](NC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1O)c1ccc(C)o1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 13/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CXCR1 P25024 9/20 0.43
▸ CCR7 P32248 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL13407248 0.88 CXCR2 (0.54) CXCR2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL13407256 0.86 CXCR2 (0.56) CXCR2CXCR1CCR7CCR6
SCHEMBL13407514 0.85 CXCR2 (0.44) CXCR2CXCR1CCR7CCR6
SCHEMBL13207262 0.83 CXCR2 (0.50) CXCR2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL13405732 0.80 CXCR2 (0.48) CXCR2CXCR1CCR7CCR6
SCHEMBL13407293 0.79 CXCR2 (0.56) CXCR2CXCR1CCR7
SCHEMBL13440143 0.79 CXCR2 (0.56) CXCR2CXCR1CCR7
SCHEMBL13406845 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL13405728 0.78 CXCR2 (0.69) CXCR2CXCR1CCR7CCR6
SCHEMBL13405672 0.78 CXCR2 (0.69) CXCR2CXCR1CCR7CCR6

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 6/4885ALDH1A1 348/4885KDM4E 4781/4885

“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.

Send feedback