SCHEMBL8059664

SCHEMBL8059664

CCCCN(CC)C(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA9 Q16790 3/20 0.59
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP8 P22894 1/20 0.48
CA2 P00918 1/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.42
ALDH2 P05091 1/20 0.41
LMNA P02545 2/20 0.41
MGLL Q99685 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 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
SCHEMBL11239445 0.91 MGLL (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL417141 0.90 CA12 (0.56) CA12CA1CA9MMP1MMP2
SCHEMBL8059769 0.86 CA12 (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL6566647 0.85
SCHEMBL7380412 0.83 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL8627810 0.81 CA12 (0.50) CA12CA1CA9MMP1MMP2
SCHEMBL11589764 0.81 CA12 (0.50) CA12CA1CA9MMP1MMP2
SCHEMBL14245075 0.81 CA12 (0.50) CA12CA1CA9MMP1MMP2
SCHEMBL1920702 0.81 CA12 (0.50) CA12CA1CA9MMP1MMP2
SCHEMBL1920829 0.81 CA12 (0.50) CA12CA1CA9MMP1MMP2

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 40 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
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-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
EP-0771797-A1 1-Azinyl-tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1997-05-07 EP disclosed
EP-0728750-A1 1-Cycloalkenyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-08-28 EP disclosed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP disclosed
EP-0121088-B1 NEW O-ACYL-ALKANEDIOL-PHOSPHOLIPIDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1986-10-01 EP disclosed
US-4610979-A O-acyl-alkanediol-phospholipids and processes for the treatment of asthma A. NATTERMANN & CIE GMBH (DE) 1986-09-09 US disclosed
EP-0056637-B1 4(3H)-QUINAZOLINONE DERIVATIVES, PROCESS FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS Ishikawa, Masayuki (JP) 1985-07-24 EP disclosed
EP-0121088-A1 New o-acyl-alkanediol-phospholipids, processes for their preparation and pharmaceutical preparations containing them A. Nattermann & Cie. GmbH (DE) 1984-10-10 EP disclosed
US-4467092-A Carbamates and thiocarbamates of 3-hydroxy-4-pyridyloxyphenoxy alkanoic acid esters ZOECON CORPORATION (US) 1984-08-21 US disclosed
US-4451467-A HYPOTENSIVE AGENTS Ishikawa, Masayuki (JP) 1984-05-29 US disclosed
EP-0056637-A1 4(3H)-quinazolinone derivatives, process for production thereof and pharmaceutical compositions comprising said compounds Ishikawa, Masayuki (JP) 1982-07-28 EP 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-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION FURIN, UGT1A7, SARS1 CA12 2511/4885CA1 2902/4885CA9 2109/4885
US-20200268762-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER SULT1E1, SULT1A1, UGT2B7 CA12 2396/4885CA1 2124/4885CA9 924/4885

“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.