SCHEMBL22801227

SCHEMBL22801227

O=c1[nH]c(=O)n([C@H]2C[C@@H]3O[PH](O)(OCCc4ccccc4)OC[C@H]3O2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.47
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TYMS P04818 2/20 0.41
▸ NT5M Q9NPB1 2/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ NT5C Q8TCD5 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
SCHEMBL22801257 0.95 TK1 (0.49) TK1LMNASMN1; SMN2TYMSNT5M
SCHEMBL21178057 0.91 LMNA (0.45) TK1LMNASMN1; SMN2TYMSNT5M
SCHEMBL22801203 0.88 LMNA (0.43) TK1LMNASMN1; SMN2TYMSESR1
SCHEMBL22801185 0.87 LMNA (0.42) TK1LMNASMN1; SMN2TYMSNT5M
SCHEMBL22801236 0.86 LMNA (0.47) TK1LMNASMN1; SMN2ESR1MAPT
SCHEMBL22801207 0.85 LMNA (0.42) TK1LMNASMN1; SMN2TYMSNT5M
SCHEMBL21178144 0.85 LMNA (0.45) TK1LMNASMN1; SMN2TYMSNT5M
SCHEMBL21178037 0.84 LMNA (0.45) TK1LMNASMN1; SMN2TYMSNT5M
SCHEMBL22801189 0.84 LMNA (0.47) TK1LMNASMN1; SMN2TYMSESR1
SCHEMBL21178133 0.84 LMNA (0.45) TK1LMNASMN1; SMN2TYMSESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427550-B2 5-fluorouracil compounds NUCORION PHARMACEUTICALS, INC. (US) 2022-08-30 — — US disclosed
US-20200399227-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. 2020-12-24 — — 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 (2 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-20200399227-A1 5-FLUOROURACIL COMPOUNDS DPYD, DHFR, FAU TK1 1030/4885LMNA 1225/4885SMN1; SMN2 1144/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 TK1 964/4885LMNA 1038/4885SMN1; SMN2 1251/4885

“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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