SCHEMBL21987663

SCHEMBL21987663

COC(=O)CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
NR1H2 P55055 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
TACR1 P25103 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL21987661 1.00 PDE4B (0.43) PDE4BALDH1A1MEN1MAPTKMT2A
SCHEMBL22052156 1.00 PDE4B (0.43) PDE4BALDH1A1MEN1MAPTKMT2A
SCHEMBL26431019 0.90 ALDH1A1 (0.43) PDE4BALDH1A1MEN1MAPTKMT2A
SCHEMBL14964702 0.88 PDE4B (0.49) PDE4BALDH1A1MEN1MAPTKMT2A
SCHEMBL21987480 0.84 PDE4B (0.46) PDE4BALDH1A1MEN1MAPTKMT2A
SCHEMBL8872296 0.84 PDE4B (0.46) PDE4BALDH1A1MEN1MAPTKMT2A
SCHEMBL21987479 0.84 PDE4B (0.46) PDE4BALDH1A1MEN1MAPTKMT2A
SCHEMBL3983381 0.81 EPHX1 (0.41) PDE4BALDH1A1MEN1MAPTKMT2A
SCHEMBL23578985 0.81 PDE4B (0.46) PDE4BALDH1A1MEN1MAPTKMT2A
SCHEMBL31153811 0.81 PDE4B (0.46) PDE4BALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
CN-110809574-A Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection 詹森药业有限公司 2020-02-18 CN 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL PDE4B 2052/4885ALDH1A1 1615/4885MEN1 4390/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 PDE4B 2619/4885ALDH1A1 1584/4885MEN1 3150/4885

“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.