SCHEMBL22960804

SCHEMBL22960804

CCOCC1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.72
PDE4D Q08499 1/20 0.72
SLC29A1 Q99808 1/20 0.72
POLA1 P09884 2/20 0.66
LMNA P02545 3/20 0.46
THRB P10828 1/20 0.46
MTOR P42345 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.40
CACNA1F O60840 2/20 0.39
ALB P02768 2/20 0.39
MAPT P10636 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39

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
SCHEMBL16366064 1.00 PDE3A (0.72) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL24704190 1.00 PDE3A (0.72) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL18778572 1.00 PDE3A (0.72) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL382349 1.00 PDE3A (0.72) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL381934 0.92 PDE3A (0.69) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL24703834 0.89 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL15788426 0.89 PDE3A (0.75) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL382458 0.89 PDE3A (0.75) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL19758224 0.89 PDE3A (0.75) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL12403953 0.89 PDE3A (0.68) PDE3APDE4DSLC29A1POLA1LMNA

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-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE MAVERIX ONCOLOGY, INC. 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-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE ZYX, SLC7A5, GMPS PDE3A 440/4885PDE4D 183/4885SLC29A1 35/4885

“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.