SCHEMBL21178012

SCHEMBL21178012

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ALOX12 P18054 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ DHFR P00374 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ TYMS P04818 2/20 0.34
▸ TK1 P04183 2/20 0.34

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
SCHEMBL22801236 0.85 LMNA (0.47) LMNASMN1; SMN2MAPTESR1DHFR
SCHEMBL22801189 0.85 LMNA (0.47) LMNASMN1; SMN2MAPTESR1ALOX12
SCHEMBL22801216 0.84 LMNA (0.47) LMNASMN1; SMN2MAPTESR1ALOX12
SCHEMBL22801215 0.83 LMNA (0.45) LMNASMN1; SMN2MAPTESR1ALOX12
SCHEMBL22801246 0.83 LMNA (0.46) LMNASMN1; SMN2MAPTESR1ALOX12
SCHEMBL22801191 0.83 LMNA (0.46) LMNASMN1; SMN2MAPTESR1DHFR
SCHEMBL22801192 0.82 LMNA (0.47) LMNASMN1; SMN2MAPTESR1DHFR
SCHEMBL21178897 0.82 LMNA (0.45) LMNASMN1; SMN2MAPTESR1DHFR
SCHEMBL22801225 0.82 LMNA (0.45) LMNASMN1; SMN2MAPTESR1DHFR
SCHEMBL21178133 0.82 LMNA (0.45) LMNASMN1; SMN2MAPTESR1ALOX12

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 3 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
WO-2019143860-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO 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 LMNA 1225/4885SMN1; SMN2 1144/4885MAPT 3566/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 LMNA 1038/4885SMN1; SMN2 1251/4885MAPT 3979/4885

“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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