SCHEMBL21178995

SCHEMBL21178995

C[C@H]1O[C@@H](n2cc(F)c(=O)n(COCc3ccccc3)c2=O)C[C@@]1(O)OCOCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL21190333 0.80 HPGD (0.39) HPGDMEN1KMT2AHDAC1HDAC2
SCHEMBL21179153 0.74 LMNA (0.45) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL21190350 0.73 LMNA (0.34) MEN1KMT2AHSP90AA1ALDH1A1CYP2C9
SCHEMBL21179078 0.73 LMNA (0.34) MEN1KMT2AHSP90AA1ALDH1A1CYP2C9
SCHEMBL6363661 0.70 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6358756 0.70 ALDH1A1 (0.34) HPGDKMT2AALDH1A1
SCHEMBL6370802 0.68 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6364960 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21190332 0.67 KMT2A (0.46) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL6364958 0.66 ALDH1A1 (0.32) ALDH1A1

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 HPGD 416/4885MEN1 447/4885KMT2A 2793/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 HPGD 162/4885MEN1 588/4885KMT2A 3192/4885

“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.