SCHEMBL19924563

SCHEMBL19924563

CN(C(=O)Cl)C(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.44
ITGB7 P26010 2/20 0.44
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
HCRTR1 O43613 1/20 0.41
CHRM1 P11229 1/20 0.40
ACE P12821 1/20 0.39
KLK5 Q9Y337 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
AKT1 P31749 2/20 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
SCHEMBL19924566 1.00 ITGA4 (0.44) ITGA4ITGB7ATMMAPTPOLB
SCHEMBL23773085 0.86 AKT1 (0.42) ITGA4ITGB7ATMMAPTALDH1A1
SCHEMBL25798251 0.85 ALDH1A1 (0.51) ITGA4ITGB7ATMMAPTPOLB
SCHEMBL19945772 0.83 MMP8 (0.50) MAPTPOLBALDH1A1CHRM1
SCHEMBL19945770 0.83 MMP8 (0.50) MAPTPOLBALDH1A1CHRM1
SCHEMBL19945666 0.82 TSHR (0.46) MAPTALDH1A1CHRM1
SCHEMBL19945667 0.82 TSHR (0.46) MAPTALDH1A1CHRM1
SCHEMBL23000947 0.81 ADAMTS5 (0.50) MAPTPOLBTDP1ALDH1A1MMP9
SCHEMBL23000946 0.81 ADAMTS5 (0.50) MAPTPOLBTDP1ALDH1A1MMP9
SCHEMBL8724334 0.80 ITGA4 (0.49) ITGA4ITGB7ATMALDH1A1CTSS

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 16 patents. 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-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
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-20200268762-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER HOFFMANN-LA ROCHE INC. (US) 2020-08-27 US disclosed
US-10752630-B2 7-substituted sulfonimidoylpurinone compounds for the treatment of virus infection HOFMANN LA-ROCHE INC. (US) 2020-08-25 US 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-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 (6 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-10752630-B2 7-substituted sulfonimidoylpurinone compounds for the treatment of virus infection FURIN, UGT1A7, SARS1 ITGA4 4520/4885ITGB7 2368/4885ATM 4206/4885
US-20190256515-A1 NOVEL SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, SULT1A1 ITGA4 4368/4885ITGB7 4204/4885ATM 4009/4885
US-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION FURIN, UGT1A7, SARS1 ITGA4 4520/4885ITGB7 2368/4885ATM 4206/4885
US-20200268762-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER SULT1E1, SULT1A1, UGT2B7 ITGA4 4268/4885ITGB7 1815/4885ATM 2511/4885
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, UGT1A7 ITGA4 4246/4885ITGB7 2288/4885ATM 4312/4885
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection TPMT, UGT1A7, UGT2B7 ITGA4 4396/4885ITGB7 2060/4885ATM 3783/4885

“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.