SCHEMBL1236679

SCHEMBL1236679

CC(=O)Nc1nc(C)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)sc2Br)s1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.42
PIK3CD O00329 5/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CB P42338 4/20 0.42
TGM2 P21980 12/20 0.41
F13A1 P00488 10/20 0.41
TGM1 P22735 7/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
TGM3 Q08188 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1237793 0.84 PIK3CG (0.39) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1235215 0.83 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1235277 0.82 PIK3CG (0.44) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1237314 0.81 PIK3CG (0.47) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1236599 0.81 PIK3CG (0.42) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1236816 0.79 PIK3CG (0.47) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL16906771 0.76 TGM2 (0.53) TGM2F13A1TGM1TGM3
SCHEMBL1237698 0.75 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1237822 0.72 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1235131 0.72 PIK3CG (0.43) 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 7 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
EP-1885716-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2012-11-07 EP disclosed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-7879888-B2 N-(4-methyl-5-{5-[(prop-2-yn-1-ylamino)sulfonyl]-2-thienyl}-1,3-thiazol-2-yl)acetamide; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 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 (2 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-20080221180-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC PIK3CG 2526/4885PIK3CD 1844/4885PIK3CA 1647/4885
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.