SCHEMBL21754828

SCHEMBL21754828

CC1O[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
PKM P14618 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 3/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NT5E P21589 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
LGALS3 P17931 1/20 0.37
LGALS4 P56470 1/20 0.37
PTPN1 P18031 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
SCHEMBL21754801 0.88 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL21754825 0.80 KMT2A (0.44) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL21754796 0.78 UPP1 (0.48) ALDH1A1MAPK1POLBGAAKMT2A
SCHEMBL4392088 0.78 ALDH1A1 (0.63) ALDH1A1PKMADRB2ADRB1ADRB3
SCHEMBL8941847 0.78 ALDH1A1 (0.63) ALDH1A1PKMADRB2ADRB1ADRB3
SCHEMBL17471056 0.77 ALDH1A1 (0.51) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL15481817 0.77 ALDH1A1 (0.51) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL16803302 0.77 ALDH1A1 (0.51) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL17471057 0.77 ALDH1A1 (0.51) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL15481720 0.77 ALDH1A1 (0.51) ALDH1A1ADRB2ADRB1ADRB3MAPT

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 679/4885TDP1 170/4885PKM 4487/4885

“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.