SCHEMBL7367580

SCHEMBL7367580

CNC(CC(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 7/20 0.48
POLB P06746 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
RECQL P46063 3/20 0.44
XBP1 P17861 1/20 0.44
GAA P10253 1/20 0.42
NPR3 P17342 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6224857 1.00 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL2870266 0.86 CTSL (0.41) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL8141807 0.86 CTSL (0.41) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL7343698 0.85 NPSR1 (0.48) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL28516209 0.83 NPSR1 (0.47) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL12627973 0.83 NPSR1 (0.50) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL22311674 0.83 NPSR1 (0.47) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL10210577 0.83 NPSR1 (0.50) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL8708108 0.82 KMT2A (0.39) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL18256445 0.81 MEN1 (0.35) MAPTKMT2AMEN1ALDH1A1NPSR1

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-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 EP 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-2015058868-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER PANGAEA BIOTECH, S.L. (ES) 2015-04-30 WO disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 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 (3 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 MAPT 4063/4885KMT2A 2867/4885MEN1 1834/4885
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection TPMT, UGT1A7, UGT2B7 MAPT 3683/4885KMT2A 2633/4885MEN1 1337/4885
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 MAPT 4708/4885KMT2A 4721/4885MEN1 3628/4885

“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.