SCHEMBL22051147

SCHEMBL22051147

CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
STS P08842 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
KDM1A O60341 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13929448 0.88 HPGD (0.43) HSD17B10HPGDRECQLPTPN2PTPN1
SCHEMBL12404088 0.85 BRD4 (0.46) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL29698639 0.84 POLB (0.56) HSD17B10POLBRECQLCHRM2CHRM1
SCHEMBL2160440 0.81 ALDH1A1 (0.49) HSD17B10MAPTSMN1; SMN2KMT2A
SCHEMBL15018797 0.81 CHRM2 (0.42) HPGDRECQLCHRM2CHRM1CHRM3
SCHEMBL316518 0.81 CHRM2 (0.42) HPGDRECQLCHRM2CHRM1CHRM3
SCHEMBL25918190 0.81 CHRM2 (0.42) HPGDRECQLCHRM2CHRM1CHRM3
SCHEMBL16716889 0.81 CHRM2 (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL26984158 0.79 GPR119 (0.46) PTPN2PTPN1PTPN6CHRM2CHRM1
SCHEMBL6504804 0.79 KDM1A (0.44) HPGDRECQLPTPN2PTPN1PTPN6

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-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

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 HSD17B10 461/4885POLB 110/4885HPGD 135/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 HSD17B10 166/4885POLB 135/4885HPGD 108/4885

“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.