SCHEMBL21754801

SCHEMBL21754801

CC1O[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
NT5E P21589 1/20 0.46
PTPN1 P18031 3/20 0.45
PTPN2 P17706 2/20 0.45
MAPT P10636 2/20 0.45
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.40
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
F11 P03951 1/20 0.39
KCNJ1 P48048 1/20 0.39

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
SCHEMBL21754828 0.88 ALDH1A1 (0.45) ALDH1A1NT5EPTPN1MAPTPOLB
SCHEMBL17471056 0.88 ALDH1A1 (0.51) ALDH1A1NT5EPTPN1PTPN2MAPT
SCHEMBL15481817 0.88 ALDH1A1 (0.51) ALDH1A1NT5EPTPN1PTPN2MAPT
SCHEMBL16803302 0.87 ALDH1A1 (0.51) ALDH1A1NT5EPTPN1PTPN2MAPT
SCHEMBL17471057 0.87 ALDH1A1 (0.51) ALDH1A1NT5EPTPN1PTPN2MAPT
SCHEMBL15481720 0.87 ALDH1A1 (0.51) ALDH1A1NT5EPTPN1PTPN2MAPT
SCHEMBL4392088 0.86 ALDH1A1 (0.63) ALDH1A1NT5EPTPN1PTPN2MAPT
SCHEMBL8941847 0.86 ALDH1A1 (0.63) ALDH1A1NT5EPTPN1PTPN2MAPT
SCHEMBL21754792 0.85 HPGD (0.46) ALDH1A1PTPN1PTPN2MAPTL3MBTL1
SCHEMBL21754796 0.84 UPP1 (0.48) ALDH1A1PTPN1PTPN2L3MBTL1POLB

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-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2020-02-25 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-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same TYMS, TYMP, RRM2B ALDH1A1 679/4885NT5E 99/4885PTPN1 4173/4885

“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.