SCHEMBL1613596

SCHEMBL1613596

CCN(N1CCOCC1)S(=O)(=O)c1cc(-c2sc(NC(C)=O)nc2C)c(Br)s1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 18/20 0.49
PIK3CD O00329 7/20 0.42
PIK3CA P42336 7/20 0.42
PIK3CB P42338 5/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CLK1 P49759 1/20 0.39
RAB9A P51151 1/20 0.39
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL1235131 0.91 PIK3CG (0.43) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1235215 0.83 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1237822 0.81 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1235144 0.80 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1613594 0.79 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1237462 0.76 PIK3CG (0.48) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1237698 0.75 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1236452 0.75 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1235254 0.74 PIK3CG (0.45) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL4957998 0.74 PIK3CG (0.41) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US disclosed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US disclosed
EP-1885716-A1 THIAZOLE DERIVATIVES AND USE THEREOF Laboratoires Serono SA (CH) 2008-02-13 EP disclosed
WO-2006125803-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 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-20110086843-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC PIK3CG 2526/4885PIK3CD 1844/4885PIK3CA 1647/4885

“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.