SCHEMBL22958870

SCHEMBL22958870

CC(C)(C)C(=O)OCOP1(=O)OCC2O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]2O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.46
▸ PDE3A Q14432 3/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ SLC29A1 Q99808 1/20 0.45
▸ POLA1 P09884 2/20 0.41
▸ CACNA1F O60840 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALB P02768 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CACNA1D Q01668 2/20 0.34
▸ CACNA1S Q13698 2/20 0.34
▸ CACNA1C Q13936 2/20 0.34
▸ POLG P54098 1/20 0.34

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
SCHEMBL20709855 1.00 STING1 (0.46) STING1PDE3APDE4DSLC29A1POLA1
SCHEMBL18263863 0.86 STING1 (0.48) STING1PDE3APDE4DSLC29A1POLA1
SCHEMBL20213192 0.85 PDE3A (0.47) STING1PDE3APDE4DSLC29A1POLA1
SCHEMBL18263751 0.82 PDE3A (0.44) STING1PDE3APDE4DSLC29A1POLA1
SCHEMBL20213212 0.82 PDE3A (0.44) STING1PDE3APDE4DSLC29A1POLA1
SCHEMBL20165893 0.82 PDE3A (0.44) STING1PDE3APDE4DSLC29A1POLA1
SCHEMBL20213101 0.82 PDE3A (0.44) STING1PDE3APDE4DSLC29A1POLA1
SCHEMBL18263750 0.82 PDE3A (0.44) STING1PDE3APDE4DSLC29A1POLA1
SCHEMBL20213095 0.82 PDE3A (0.44) STING1PDE3APDE4DSLC29A1POLA1
SCHEMBL18270537 0.82 PDE3A (0.43) STING1PDE3APDE4DSLC29A1POLA1

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-20210038628-A1 NANOPARTICLE COMPOSITIONS JANUARY THERAPEUTICS, INC. (US) 2021-02-11 — — 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-20210038628-A1 NANOPARTICLE COMPOSITIONS PTEN, NANP, PLCB3 STING1 3929/4885PDE3A 505/4885PDE4D 640/4885

“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.

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