SCHEMBL6823767

SCHEMBL6823767

CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccccc2N)s1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.54
RORC P51449 1/20 0.54
RORB Q92753 1/20 0.54
PIK3CG P48736 10/20 0.47
PIK3CD O00329 9/20 0.47
PIK3CA P42336 8/20 0.47
PIK3CB P42338 7/20 0.47
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA1 P30542 1/20 0.42
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
GRM4 Q14833 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
MMP9 P14780 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
SCHEMBL5594948 0.81 RORA (0.53) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3561417 0.79 RORA (0.48) RORARORCRORBPIK3CGPIK3CD
SCHEMBL2157974 0.77 NPSR1 (0.54) RORARORCRORBPIK3CGPIK3CD
SCHEMBL6027221 0.77 RORA (0.55) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3557789 0.77 RORA (0.46) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3561014 0.76 SLC16A3 (0.54) RORARORCRORBPIK3CGPIK3CD
SCHEMBL2959779 0.76 RORA (0.69) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3807331 0.76 PIK3CG (0.47) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3558193 0.75 SLC16A3 (0.50) RORARORCRORBPIK3CGPIK3CD
SCHEMBL12197706 0.75 RORA (0.54) RORARORCRORBPIK3CGPIK3CD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO 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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN RORA 396/4885RORC 205/4885RORB 336/4885

“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.