SCHEMBL21987133

SCHEMBL21987133

COC(=O)[C@@H]1CC[C@H](C(=O)O)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 3/20 0.50
PTPN1 P18031 3/20 0.50
PPP1CC P36873 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PDK1 Q15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
TFPI2 P48307 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL8013452 1.00 PPM1B (0.50) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL16570723 0.91 PPM1B (0.47) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL69736 0.91 PPM1B (0.47) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL71007 0.82 PPM1B (0.44) PPM1BPTPN1PPP1CCSMN1; SMN2PDK1
SCHEMBL9601533 0.82 KDM4E (0.36) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL68843 0.81 LMNA (0.46) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL38319 0.81 LMNA (0.46) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL17040641 0.79 PPM1B (0.47) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL19088423 0.78 PPM1B (0.41) PPM1BPTPN1PPP1CCSMN1; SMN2ALDH1A1
SCHEMBL27449810 0.77 PPM1B (0.40) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2

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 PPM1B 326/4885PTPN1 2390/4885PPP1CC 3706/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 PPM1B 628/4885PTPN1 2256/4885PPP1CC 2210/4885

“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.