SCHEMBL19945248

SCHEMBL19945248

CN[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.61
ITGB7 P26010 2/20 0.61
MAPT P10636 6/20 0.56
TDP1 Q9NUW8 4/20 0.56
POLB P06746 3/20 0.56
CTSS P25774 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSK P43235 1/20 0.53
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
ACE P12821 1/20 0.51
NPSR1 Q6W5P4 3/20 0.50
MAOA P21397 1/20 0.50
KLK5 Q9Y337 1/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL19945249 1.00 ITGA4 (0.61) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL31293782 0.90 MMP1 (0.58) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL7807672 0.88 ITGA4 (0.50) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL10584324 0.88 ITGA4 (0.61) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL13020623 0.88 ITGA4 (0.61) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL10584328 0.88 ITGA4 (0.61) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL6800679 0.88 ITGA4 (0.61) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL6800676 0.88 ITGA4 (0.61) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL19354815 0.86 CTSS (0.53) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL8707158 0.85 CTSS (0.61) MAPTTDP1POLBCTSSCTSL

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 18 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
US-11247973-B2 Antiviral benzodiazepine compounds THE UNIVERSITY OF DURHAM (GB) 2022-02-15 US 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
US-20210017138-A1 An Antimicrobial Compound THE UNIVERSITY OF DURHAM (GB) 2021-01-21 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-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
US-10351593-B2 Derivatives of dolastatin 10 and uses thereof NEWBIO THERAPEUTICS, INC. (CN) 2019-07-16 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-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-20180141973-A1 Derivatives of Dolastatin 10 and Uses Thereof NEWBIO THERAPEUTICS, INC. (CN) 2018-05-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 2368/4885MAPT 3474/4885
US-20190256515-A1 NOVEL SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, SULT1A1 ITGA4 4368/4885ITGB7 4204/4885MAPT 3877/4885
US-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION FURIN, UGT1A7, SARS1 ITGA4 4520/4885ITGB7 2368/4885MAPT 3474/4885
US-11247973-B2 Antiviral benzodiazepine compounds GABRA5, GABRA1, GABRA6 ITGA4 4340/4885ITGB7 4032/4885MAPT 1716/4885
US-20210017138-A1 An Antimicrobial Compound FPR1, CFTR, FPR2 ITGA4 4439/4885ITGB7 3852/4885MAPT 3322/4885
US-10351593-B2 Derivatives of dolastatin 10 and uses thereof PCSK9, DDOST, DHCR7 ITGA4 1080/4885ITGB7 1460/4885MAPT 2427/4885
US-20200268762-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER SULT1E1, SULT1A1, UGT2B7 ITGA4 4268/4885ITGB7 1815/4885MAPT 4632/4885
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, UGT1A7 ITGA4 4246/4885ITGB7 2288/4885MAPT 4063/4885
US-20180141973-A1 Derivatives of Dolastatin 10 and Uses Thereof PCSK9, DDOST, DHCR7 ITGA4 1080/4885ITGB7 1460/4885MAPT 2427/4885
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection TPMT, UGT1A7, UGT2B7 ITGA4 4396/4885ITGB7 2060/4885MAPT 3683/4885

“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.