SCHEMBL21987293

SCHEMBL21987293

COC(=O)CC(=O)C1CCC(C(=O)O)O1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.37
PTPN1 P18031 2/20 0.37
PPP1CC P36873 2/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 4/20 0.35
EPHX2 P34913 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL22050970 0.85 PPM1B (0.37) PPM1BPTPN1PPP1CCMGAMGAA
SCHEMBL30354329 0.85 PPM1B (0.37) PPM1BPTPN1PPP1CCMGAMGAA
SCHEMBL25659463 0.76 FFAR3 (0.38) PPM1BPTPN1PPP1CCTSHRNPSR1
SCHEMBL8013452 0.76 PPM1B (0.50) PPM1BPTPN1PPP1CCTSHR
SCHEMBL21987133 0.76 PPM1B (0.50) PPM1BPTPN1PPP1CCTSHR
SCHEMBL68843 0.74 LMNA (0.46) PPM1BPTPN1PPP1CCTSHRMEN1
SCHEMBL38319 0.74 LMNA (0.46) PPM1BPTPN1PPP1CCTSHRMEN1
SCHEMBL8004510 0.72 TSHR (0.33) TSHR
SCHEMBL1016103 0.70 HPGD (0.48) MEN1KMT2AHSD17B10
SCHEMBL1015503 0.70 HPGD (0.48) MEN1KMT2AHSD17B10

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 2 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

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.