SCHEMBL21562980

SCHEMBL21562980

COC(=O)CC(C)(C)n1cc2c(n1)CCC(C(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK1 Q15118 1/20 0.31

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
SCHEMBL21562986 0.90 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2HPGDGAATSHR
SCHEMBL23647003 0.84 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDGAATSHR
SCHEMBL21562985 0.79 GAA (0.49) ALDH1A1SMN1; SMN2HPGDGAATSHR
SCHEMBL21563114 0.77 HPGD (0.42) ALDH1A1SMN1; SMN2HPGDGAATSHR
SCHEMBL23646997 0.76 PDK2 (0.33) ALDH1A1GAAL3MBTL1PDK2
SCHEMBL21562984 0.75 HPGD (0.41) ALDH1A1SMN1; SMN2HPGDGAATSHR
SCHEMBL21562968 0.75 HPGD (0.34) TBXAS1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL21549903 0.75 HPGD (0.41) ALDH1A1SMN1; SMN2HPGDGAATSHR
SCHEMBL23646982 0.73 PDK2 (0.31) PDK2
SCHEMBL23646981 0.73 PDK2 (0.31) PDK2

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 4 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
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 TBXAS1 623/4885ALDH1A1 1457/4885SMN1; SMN2 4713/4885

“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.