SCHEMBL6912406

SCHEMBL6912406

CC(=O)SC[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ EIF4E P06730 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TOP1 P11387 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ PNP P00491 3/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL12892430 0.86 LMNA (0.63) LMNASMN1; SMN2ALDH1A1ADORA1TSHR
SCHEMBL12879146 0.86 LMNA (0.54) LMNASMN1; SMN2ALDH1A1ADORA1TSHR
SCHEMBL3762066 0.86 LMNA (0.63) LMNASMN1; SMN2ALDH1A1ADORA1TSHR
SCHEMBL24024511 0.86 LMNA (0.54) LMNASMN1; SMN2ALDH1A1ADORA1TSHR
SCHEMBL13058163 0.86 LMNA (0.63) LMNASMN1; SMN2ALDH1A1ADORA1TSHR
SCHEMBL24024691 0.86 LMNA (0.63) LMNASMN1; SMN2ALDH1A1ADORA1TSHR
SCHEMBL7377274 0.86 LMNA (0.63) LMNASMN1; SMN2ALDH1A1ADORA1TSHR
SCHEMBL12879149 0.86 LMNA (0.63) LMNASMN1; SMN2ALDH1A1ADORA1TSHR
SCHEMBL6839692 0.86 LMNA (0.63) LMNASMN1; SMN2ALDH1A1ADORA1TSHR
SCHEMBL24024831 0.80 LMNA (0.47) LMNASMN1; SMN2ALDH1A1ADORA1TSHR

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-20040023901-A1 Nucleoside 5'-monophosphate mimics and their prodrugs BIOTA HOLDINGS LIMITED (AU) 2004-02-05 — — 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-20040023901-A1 Nucleoside 5'-monophosphate mimics and their prodrugs MTAP, ENTPD5, PNP LMNA 4394/4885SMN1; SMN2 2624/4885ALDH1A1 2159/4885

“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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