SCHEMBL20599526

SCHEMBL20599526

COC(=O)C(C)(C)S(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
HRH3 Q9Y5N1 1/20 0.44
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
STS P08842 2/20 0.36
EPHX2 P34913 1/20 0.35
POLB P06746 1/20 0.35
DGAT1 O75907 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
SCHEMBL20624895 0.84 TP53 (0.45) TP53SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL21987525 0.79 TP53 (0.41) TP53PKMSMN1; SMN2ALDH1A1HPGD
SCHEMBL14490928 0.76 TP53 (0.48) TP53HRH3PKMSMN1; SMN2ALDH1A1
SCHEMBL23581795 0.75 TP53 (0.46) TP53HRH3PKMSMN1; SMN2ALDH1A1
SCHEMBL28031918 0.75 HRH3 (0.53) TP53HRH3SMN1; SMN2ALDH1A1HPGD
SCHEMBL2618581 0.74 HRH3 (0.41) TP53HRH3PKMSMN1; SMN2ALDH1A1
SCHEMBL1199842 0.72 CA12 (0.41) SMN1; SMN2ALDH1A1NPSR1KMT2ATSHR
SCHEMBL15219458 0.72 HRH3 (0.40) TP53HRH3PKMSMN1; SMN2ALDH1A1
SCHEMBL1764566 0.72 HRH3 (0.60) HRH3SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL10274867 0.71 HRH3 (0.55) TP53HRH3SMN1; SMN2ALDH1A1HPGD

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 5 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
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 TP53 513/4885HRH3 1200/4885PKM 4238/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 TP53 1398/4885HRH3 775/4885PKM 3072/4885

“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.