SCHEMBL737933

SCHEMBL737933

C[C@H]1COCCN1c1cc(C(C)(C)S(=O)(=O)CCCO)nc(-c2ccc(NC(=S)NCCO)cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.83
PIK3CD O00329 12/20 0.83
MTOR P42345 8/20 0.66
PIK3CB P42338 1/20 0.66
PIK3CG P48736 1/20 0.66

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
SCHEMBL737885 0.94 PIK3CA (0.74) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL739763 0.93 PIK3CA (0.71) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL738520 0.91 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL738315 0.91 PIK3CA (0.68) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL739807 0.88 PIK3CA (0.83) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL737932 0.87 PIK3CA (0.81) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3597508 0.85 PIK3CA (0.76) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL737528 0.84 PIK3CA (0.58) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3930038 0.84 PIK3CA (0.81) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL738603 0.83 PIK3CA (0.85) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US claimed
EP-4192822-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-06-14 EP claimed
US-11337982-B2 Combined treatment with a TLR7 agonist and an HBV capsid assembly inhibitor HOFFMANN-LA ROCHE, INC. (US) 2022-05-24 US claimed
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same HOFFMANN-LA ROCHE INC. (US) 2022-02-08 US claimed
EP-3512556-B1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR HOFFMANN LA ROCHE (CH) 2021-08-18 EP claimed
WO-2021052892-A1 PIPERIDINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-03-25 WO claimed
US-20200109144-A1 Sulfonimidoylpurinone Compounds HOFFMANN-LA ROCHE INC. (US) 2020-04-09 US claimed
US-20190298726-A1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR HOFFMANN-LA ROCHE INC. (US) 2019-10-03 US claimed
EP-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 EP claimed
US-20170275286-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection HOFFMANN-LA ROCHE INC. (US) 2017-09-28 US claimed
US-9708325-B2 Sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US claimed
US-20160326177-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US claimed
EP-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP claimed
US-8138183-B2 Morpholino pyrimidine derivatives used in diseases linked to mTOR kinase and/or PI3K ASTRAZENECA AB (SE) 2012-03-20 US claimed
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2010-09-30 US claimed
EP-2176238-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K AstraZeneca AB (SE) 2010-04-21 EP claimed
WO-2009007750-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2009-01-15 WO claimed
US-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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 (9 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-20170275286-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection PRSS1, TPMT, SULT1E1 PIK3CA 2825/4885PIK3CD 3931/4885MTOR 590/4885
US-20160326177-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection PRSS1, TPMT, SULT1E1 PIK3CA 2825/4885PIK3CD 3931/4885MTOR 590/4885
US-20190298726-A1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR TLR7, TLR9, HAVCR2 PIK3CA 2458/4885PIK3CD 2647/4885MTOR 3990/4885
US-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE PNPO, PDXK, C5 PIK3CA 1305/4885PIK3CD 1675/4885MTOR 2092/4885
US-20200109144-A1 Sulfonimidoylpurinone Compounds NQO1, UGT1A1, SULT1E1 PIK3CA 2249/4885PIK3CD 3811/4885MTOR 1370/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885PIK3CD 19/4885MTOR 3/4885
US-11337982-B2 Combined treatment with a TLR7 agonist and an HBV capsid assembly inhibitor TLR7, TLR9, HAVCR2 PIK3CA 2458/4885PIK3CD 2647/4885MTOR 3990/4885
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K PIK3CA, MTOR, PIK3CD PIK3CA 1/4885PIK3CD 3/4885MTOR 2/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 PIK3CA 1658/4885PIK3CD 3571/4885MTOR 1064/4885

“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.