SCHEMBL24024802

SCHEMBL24024802

NC(=O)c1ncn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c1N

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATIC P31939 2/20 0.71
FBP1 P09467 1/20 0.71
KDM4E B2RXH2 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
TP53 P04637 1/20 0.71
MAPT P10636 1/20 0.71
ATG7 O95352 9/20 0.60
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
BLM P54132 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 1/20 0.55
RXFP1 Q9HBX9 1/20 0.48
TYMP P19971 1/20 0.48

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
SCHEMBL12918453 0.86 ATIC (0.74) ATICFBP1KDM4ETDP1TP53
SCHEMBL13153880 0.86 ATIC (0.74) ATICFBP1KDM4ETDP1TP53
SCHEMBL14469426 0.85 ATIC (0.72) ATICFBP1KDM4ETDP1TP53
SCHEMBL1230585 0.83 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL4359472 0.83 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL1230589 0.83 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL849848 0.83 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL20276955 0.83 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL20134003 0.83 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL15520399 0.83 ATIC (1.00) ATICFBP1KDM4ETDP1TP53

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-20210353660-A1 Pre-Activated Nucleoside IMPDH Inhibitors As Anti-Infective Drugs OCTAGON THERAPEUTICS INC. (US) 2021-11-18 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-20210353660-A1 Pre-Activated Nucleoside IMPDH Inhibitors As Anti-Infective Drugs IMPDH1, IMPDH2, PNP ATIC 86/4885FBP1 527/4885KDM4E 3529/4885

“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.