SCHEMBL19945249

SCHEMBL19945249

CNC(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
SCHEMBL19945248 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 9 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
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
WO-2019242010-A1 COMPOUND OR SALT THEREOF AND PREPARATION METHOD AND APPLICATION OF SAME 浙江湃肽生物有限公司 2019-12-26 WO 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

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-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-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.