SCHEMBL48518

SCHEMBL48518

CCOC(=O)C(C)NC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.64
PIK3CA P42336 13/20 0.64
PIK3CG P48736 13/20 0.64
PIK3CB P42338 12/20 0.64
PTGS2 P35354 1/20 0.45
XIAP P98170 1/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PI4KB Q9UBF8 4/20 0.42
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
AOC3 Q16853 1/20 0.40

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
SCHEMBL1786144 0.92 PIK3CD (0.66) PIK3CDPIK3CAPIK3CGPIK3CBPTGS2
SCHEMBL1786138 0.92 PIK3CD (0.66) PIK3CDPIK3CAPIK3CGPIK3CBPTGS2
SCHEMBL1783913 0.83 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1783906 0.83 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL48491 0.83 PIK3CD (0.64) PIK3CDPIK3CAPIK3CGPIK3CBPTGS2
SCHEMBL48623 0.82 PIK3CD (0.72) PIK3CDPIK3CAPIK3CGPIK3CBXIAP
SCHEMBL48519 0.82 PIK3CD (0.61) PIK3CDPIK3CAPIK3CGPIK3CBPTGS2
SCHEMBL48850 0.78 PIK3CD (0.69) PIK3CDPIK3CAPIK3CGPIK3CBXIAP
SCHEMBL1784577 0.78 PIK3CD (0.69) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL48857 0.78 PIK3CG (1.00) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB

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
EP-2311818-B1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug NOVARTIS AG (CH) 2013-01-16 EP disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
EP-2311818-A1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug Novartis AG (CH) 2011-04-20 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B PIK3CD 4/4885PIK3CA 1/4885PIK3CG 8/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B PIK3CD 4/4885PIK3CA 1/4885PIK3CG 8/4885

“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.