SCHEMBL21549926

SCHEMBL21549926

CCOC(=O)CC(=O)C1CCc2cn(CCC(=O)OC)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 5/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL21562914 0.92 GAA (0.43) SMN1; SMN2ALDH1A1ATMGAAL3MBTL1
SCHEMBL21549889 0.86 GAA (0.42) SMN1; SMN2ALDH1A1ATMGAAL3MBTL1
SCHEMBL21562868 0.85 HPGD (0.36) SMN1; SMN2GAAHPGDRAB9ANPC1
SCHEMBL21549910 0.84 HPGD (0.42) SMN1; SMN2ALDH1A1GAAL3MBTL1LMNA
SCHEMBL21562981 0.81 GAA (0.49) SMN1; SMN2ALDH1A1ATMGAAL3MBTL1
SCHEMBL21549897 0.80 GAA (0.40) SMN1; SMN2ALDH1A1GAAL3MBTL1HPGD
SCHEMBL21549861 0.78 HSD17B1 (0.34) ALDH1A1LMNAHPGDTSHRHSD17B10
SCHEMBL21562874 0.78 HPGD (0.40) SMN1; SMN2ALDH1A1GAAL3MBTL1LMNA
SCHEMBL21678938 0.77 CACNA1C (0.35) SMN1; SMN2ALDH1A1KMT2ALMNAHPGD
SCHEMBL21563114 0.76 HPGD (0.42) SMN1; SMN2ALDH1A1GAAL3MBTL1LMNA

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 SMN1; SMN2 4713/4885ALDH1A1 1457/4885ATM 3660/4885

“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.