SCHEMBL22605486

SCHEMBL22605486

O=C[C@@H](CC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ SLC15A1 P46059 2/20 0.46
▸ MMP9 P14780 1/20 0.45
▸ CASP1 P29466 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CDC25B P30305 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 2/20 0.42

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
SCHEMBL30020515 0.82 SLC15A1 (0.52) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL17483756 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL9792708 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL10047603 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL6265164 0.78 SLC15A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL16596492 0.78 SLC15A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL27323312 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL27568984 0.77 SLC15A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL9557706 0.76 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL1705106 0.76 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 — — 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 (1 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-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 ALDH1A1 1478/4885MAPK1 3554/4885L3MBTL1 2198/4885

“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.

Send feedback