SCHEMBL2834276

SCHEMBL2834276

Cc1nc(NC(=O)NCC(=O)OC(C)(C)C)sc1-c1csc(CC#N)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 9/20 0.49
PIK3CG P48736 9/20 0.44
PIK3CD O00329 3/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CFTR P13569 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2834099 0.92 PIK3CG (0.53) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2840523 0.90 PI4KB (0.48) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2839918 0.87 PI4KB (0.51) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2831604 0.87 PI4KB (0.49) PI4KBPIK3CGALDH1A1MAPTSMN1; SMN2
SCHEMBL13135896 0.86 PI4KB (0.44) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL13135888 0.85 PIK3CG (0.43) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2836063 0.84 PIK3CG (0.46) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2836982 0.82 LMNA (0.45) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2840473 0.82 PI4KB (0.57) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2836878 0.82 PI4KB (0.52) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB

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-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP claimed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US claimed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US claimed
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 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-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries PDGFRA, PDGFRB, PF4 PI4KB 1541/4885PIK3CG 1076/4885PIK3CD 1044/4885

“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.