SCHEMBL25101079

SCHEMBL25101079

CCSSC1C(CC)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.59
PI4KA P42356 2/20 0.59
PI4K2B Q8TCG2 2/20 0.59
PI4K2A Q9BTU6 2/20 0.59
PI4KB Q9UBF8 2/20 0.59
DPP4 P27487 1/20 0.59
MEN1 O00255 1/20 0.59
SLC28A1 O00337 1/20 0.59
MAP3K7 O43318 1/20 0.59
SLC28A2 O43868 1/20 0.59
GAPDH P04406 1/20 0.59
MAPK1 P28482 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA2B P29275 1/20 0.59
ADORA1 P30542 1/20 0.59
STAT6 P42226 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DOT1L Q8TEK3 1/20 0.59
SLC29A1 Q99808 1/20 0.59

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
SCHEMBL23813618 0.89 ADORA3 (0.69) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL21350868 0.89 ADORA3 (0.69) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL8888538 0.83 ADORA3 (0.72) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL23813550 0.81 ADORA3 (0.67) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL8888270 0.81 ADORA3 (0.72) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL8888273 0.81 ADORA3 (0.72) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL998092 0.81 ADORA3 (0.72) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL3417634 0.80 ADORA3 (0.75) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL3417640 0.80 ADORA3 (0.75) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL14580089 0.80 ADORA3 (0.61) ADORA3PI4KAPI4K2BPI4K2API4KB

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-11597745-B2 β-modified phosphoric acid compound precursor, β-modified phosphoric acid compound, reaction inhibitor and medicine containing the same, and method for inhibiting reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-03-07 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-11597745-B2 β-modified phosphoric acid compound precursor, β-modified phosphoric acid compound, reaction inhibitor and medicine containing the same, and method for inhibiting reaction PPM1A, PPM1G, PPM1F ADORA3 2415/4885PI4KA 56/4885PI4K2B 97/4885

“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.