SCHEMBL20624943

SCHEMBL20624943

O=C(O)C1CCC(S(=O)(=O)N2CCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
EPHX2 P34913 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 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
SCHEMBL20624897 0.96 TSHR (0.49) TSHREPHX2L3MBTL1MAPTPOLB
SCHEMBL3918633 0.88 TSHR (0.61) TSHREPHX2POLBALDH1A1LMNA
SCHEMBL18914047 0.82 EPHX2 (0.46) TSHREPHX2L3MBTL1POLBALDH1A1
SCHEMBL4355006 0.78 CA1 (0.46) TSHREPHX2L3MBTL1POLBALDH1A1
SCHEMBL7540083 0.76 TSHR (0.47) TSHRPOLBALDH1A1LMNAPLG
SCHEMBL3290728 0.76 TSHR (0.53) TSHREPHX2L3MBTL1MAPTPOLB
SCHEMBL25939642 0.76 TSHR (0.53) TSHREPHX2L3MBTL1MAPTPOLB
SCHEMBL25200354 0.76 TSHR (0.55) TSHREPHX2POLBALDH1A1LMNA
SCHEMBL625139 0.75 EPHX2 (0.44) TSHREPHX2L3MBTL1POLBALDH1A1
SCHEMBL3503020 0.75 CA1 (0.50) TSHREPHX2L3MBTL1POLBALDH1A1

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-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
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 TSHR 4103/4885EPHX2 1439/4885L3MBTL1 2580/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 TSHR 3525/4885EPHX2 708/4885L3MBTL1 2988/4885

“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.