SCHEMBL19927698

SCHEMBL19927698

CN(CCC(=O)OC(C)(C)C)C(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CTSK P43235 1/20 0.31
STING1 Q86WV6 1/20 0.31

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
SCHEMBL948960 0.82 MEN1 (0.36) MEN1KMT2AEPHX2HDAC1HDAC2
SCHEMBL2606995 0.79 MEN1 (0.40) MEN1KMT2AEPHX2HDAC1HDAC2
SCHEMBL19945257 0.78 GBA1 (0.36) ALDH1A1TSHRHDAC1HDAC2HDAC6
SCHEMBL948125 0.78 CA12 (0.36) MEN1KMT2AEPHX2ALDH1A1HDAC1
SCHEMBL14237883 0.78 KMT2A (0.54) MEN1KMT2AEPHX2HDAC1HDAC2
SCHEMBL9199990 0.77 KMT2A (0.37) MEN1KMT2AEPHX2TSHRHDAC1
SCHEMBL18767680 0.77 GSTO1 (0.36) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL27025636 0.76 HDAC6 (0.37) ALDH1A1TSHRHDAC1HDAC2HDAC6
SCHEMBL10308998 0.76 HDAC6 (0.33) ALDH1A1TSHRHDAC1HDAC2HDAC6
SCHEMBL2607007 0.74 MEN1 (0.45) MEN1KMT2AEPHX2HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801100-B 7-substituted sulfoimidoyl purinone compounds and derivatives for the treatment and prevention of liver cancer 豪夫迈·罗氏有限公司 2023-10-24 CN disclosed
CN-109641904-B 7-substituted sulfoxy-purinone compounds for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
EP-3865482-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-18 EP disclosed
EP-3865482-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-18 EP disclosed
EP-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 EP disclosed
EP-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 EP disclosed
EP-3758707-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
US-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2020-12-10 US disclosed
US-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2020-12-10 US disclosed
CN-111801100-A 7-substituted sulfoxy-purinone compounds and derivatives for the treatment and prevention of liver cancer 豪夫迈·罗氏有限公司 2020-10-20 CN disclosed
US-20190256515-A1 NOVEL SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
EP-3504210-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2019-07-03 EP disclosed
CN-109641904-A The sulphur imido acyl group purine ketone compound that 7- for treating and preventing virus infection replaces 豪夫迈·罗氏有限公司 2019-04-16 CN disclosed
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection HOFFMANN-LA ROCHE INC. (US) 2019-03-19 US disclosed
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection HOFFMANN-LA ROCHE INC. (US) 2019-03-19 US disclosed
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
WO-2018041763-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-03-08 WO disclosed
WO-2018041763-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-03-08 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 (4 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-20190256515-A1 NOVEL SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, SULT1A1 MEN1 1488/4885KMT2A 2494/4885EPHX2 2843/4885
US-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION FURIN, UGT1A7, SARS1 MEN1 1609/4885KMT2A 2144/4885EPHX2 3066/4885
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, UGT1A7 MEN1 1834/4885KMT2A 2867/4885EPHX2 2078/4885
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection TPMT, UGT1A7, UGT2B7 MEN1 1337/4885KMT2A 2633/4885EPHX2 2508/4885

“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.