SCHEMBL21549928

SCHEMBL21549928

CCOC(=O)C(C)(C)CCn1cc2c(n1)CCC(C(=O)CC(=O)OC)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL21549902 0.95 GAA (0.41) GAAL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL21549918 0.90 GAA (0.42) GAAL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL21562912 0.87 GAA (0.41) GAAL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL21549935 0.85 GAA (0.42) GAAL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL21562914 0.83 GAA (0.43) GAAL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL21549882 0.83 GAA (0.42) GAAL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL21549910 0.82 HPGD (0.42) GAAL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL21549889 0.82 GAA (0.42) GAAL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL21562907 0.81 GAA (0.41) GAAL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL21562981 0.81 GAA (0.49) GAAL3MBTL1MAPK1LMNAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 US disclosed
US-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 US disclosed
CN-112638883-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-04-09 CN disclosed
EP-3790866-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-03-17 EP disclosed
WO-2019214610-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2019-11-14 WO disclosed
WO-2019214610-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2019-11-14 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 (1 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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, TYMP, HAVCR2 GAA 1309/4885L3MBTL1 2931/4885MAPK1 3193/4885

“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.