SCHEMBL1237882

SCHEMBL1237882

CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCOCC3)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 0.56
PIK3CA P42336 11/20 0.48
PIK3CB P42338 11/20 0.48
PIK3CD O00329 10/20 0.48
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CLK1 P49759 1/20 0.46
RAB9A P51151 1/20 0.46
PIK3R1 P27986 1/20 0.44
POLB P06746 1/20 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
PIK3C3 Q8NEB9 1/20 0.43
PI4KB Q9UBF8 1/20 0.43

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
SCHEMBL1236893 0.91 PIK3CG (0.53) PIK3CGPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1236640 0.89 PIK3CG (0.48) PIK3CGPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1237117 0.88 PIK3CG (0.48) PIK3CGPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1236720 0.87 PIK3CG (0.47) PIK3CGPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1237555 0.85 PIK3CG (0.46) PIK3CGPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1236616 0.85 PIK3CG (0.45) PIK3CGPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1237551 0.83 PIK3CG (0.46) PIK3CGPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1614199 0.83 PIK3CG (0.43) PIK3CGPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1614200 0.82 PI4KB (0.44) PIK3CGPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1237544 0.82 PIK3CG (0.61) PIK3CGPIK3CAPIK3CBPIK3CDNPC1

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 15 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 claimed
EP-1885716-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2012-11-07 EP claimed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US claimed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 US claimed
US-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US disclosed
US-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US disclosed
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
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-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-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
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 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 (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 2526/4885PIK3CA 1647/4885PIK3CB 1861/4885
US-20110086843-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC PIK3CG 2526/4885PIK3CA 1647/4885PIK3CB 1861/4885

“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.