SCHEMBL21754762

SCHEMBL21754762

COc1ccc(C(=O)OC[C@H]2OC(C)[C@@H](F)[C@@H]2OC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAPDH P04406 1/20 0.42
ALDH1A1 P00352 1/20 0.41
F11 P03951 2/20 0.41
ESR2 Q92731 1/20 0.40
HRAS P01112 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
PTPN2 P17706 2/20 0.38
PTPN11 Q06124 2/20 0.38

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
SCHEMBL16771332 0.88 PTPN1 (0.45) PTPN1CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL15481814 0.88 PTPN1 (0.45) PTPN1CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL21754792 0.88 HPGD (0.46) PTPN1CYP2C9ALDH1A1F11CA1
SCHEMBL15481815 0.87 PTPN1 (0.49) PTPN1CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL15481922 0.87 PTPN1 (0.44) PTPN1CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL16771331 0.87 PTPN1 (0.49) PTPN1CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL21754796 0.87 UPP1 (0.48) PTPN1CYP2C9CYP2C19GAPDHALDH1A1
SCHEMBL8389853 0.86 POLB (0.49) PTPN1GAPDHALDH1A1F11HRAS
SCHEMBL14931047 0.86 POLB (0.49) PTPN1GAPDHALDH1A1F11HRAS
SCHEMBL16926957 0.86 POLB (0.49) PTPN1GAPDHALDH1A1F11HRAS

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-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
US-9403832-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2016-08-02 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 PTPN1 4173/4885CYP3A4 1830/4885CYP2D6 806/4885

“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.