SCHEMBL20599697

SCHEMBL20599697

CCOC(=O)CC(=O)C1CCCC(C(=O)OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL10236626 0.95 GAA (0.51) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2680543 0.95 GAA (0.51) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2005270 0.90 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20599527 0.86 SMN1; SMN2 (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1617817 0.86 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1014646 0.86 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10236613 0.85 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL434421 0.84 MGAM (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4997648 0.81 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21987187 0.81 TP53 (0.43) GAAMGAMSIMGAM2ALDH1A1

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 8 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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
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
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
EP-3645516-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Janssen Pharmaceutica NV (BE) 2020-05-06 EP 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
WO-2019001420-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2019-01-03 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 (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 GAA 1238/4885MGAM 3952/4885SI 1095/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 GAA 2071/4885MGAM 4187/4885SI 643/4885

“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.