SCHEMBL6019728

SCHEMBL6019728

CC(=O)Nc1nc(C)c(S(=O)(=O)NCCC#N)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
RORB Q92753 1/20 0.46
PIK3CD O00329 8/20 0.44
PIK3CG P48736 9/20 0.43
PIK3CA P42336 7/20 0.43
PIK3CB P42338 6/20 0.43
PIK3C3 Q8NEB9 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
PIK3C2A O00443 1/20 0.43
PIK3C2B O00750 1/20 0.43
PI4KA P42356 1/20 0.43
PRKDC P78527 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PCSK9 Q8NBP7 2/20 0.40
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL12461333 0.84 RORA (0.49) RORARORCRORBPIK3CDPIK3CG
SCHEMBL1939226 0.84 PIK3CG (0.56) RORARORCRORBPIK3CDPIK3CG
SCHEMBL12201045 0.81 RORA (0.51) RORARORCRORBPIK3CDPIK3CG
SCHEMBL1939916 0.81 RORA (0.49) RORARORCRORBPIK3CDPIK3CG
SCHEMBL12203600 0.81 RORA (0.49) RORARORCRORBPIK3CDPIK3CG
SCHEMBL48444 0.81 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL6101006 0.80 RORA (0.50) RORARORCRORBPIK3CDPIK3CG
SCHEMBL1715514 0.80 RORA (0.46) RORARORCRORBPIK3CDPIK3CG
SCHEMBL1715037 0.78 RORA (0.44) RORARORCRORBPIK3CDPIK3CG
SCHEMBL12203598 0.78 RORA (0.51) RORARORCRORBPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 RORA 1401/4885RORC 2439/4885RORB 1126/4885

“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.