SCHEMBL25113808

SCHEMBL25113808

CCOc1c(CC(N)=O)cc([C@@H](CNC(=O)c2ccc(OC[C@@H](C)OP(=O)(O)O)c(OC3CC3)c2)C(F)(F)F)nc1-c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
NAMPT P43490 3/20 0.33
EPHX2 P34913 2/20 0.33
SLC5A7 Q9GZV3 7/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL25115724 0.86 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DNAMPT
SCHEMBL26568540 0.83 SLC5A7 (0.33) PDE4APDE4BPDE4CPDE4DNAMPT
SCHEMBL26544525 0.81 LMNA (0.33) NAMPTMAPTLMNA
SCHEMBL24984669 0.79 GABRA5 (0.35) NAMPTMAPTLMNA
SCHEMBL25113867 0.78 MAPT (0.35) NAMPTMAPTTHRBLMNATP53
SCHEMBL24986890 0.78 ALDH1A1 (0.36) NAMPTLMNATP53POLB
SCHEMBL25114718 0.78 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DNAMPT
SCHEMBL25113849 0.78 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DNAMPT
SCHEMBL26532562 0.76 MEN1 (0.39) PDE4BEPHX2MAPTLMNA
SCHEMBL25116085 0.72 PDE4B (0.35) PDE4APDE4BPDE4CPDE4DEPHX2

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-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 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-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 PDE4A 961/4885PDE4B 778/4885PDE4C 1162/4885

“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.