SCHEMBL16769153

SCHEMBL16769153

CC[C@@H]1OC(O)[C@H](OC(=O)c2ccccc2)[C@@H]1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 4/20 0.48
LGALS1 P09382 4/20 0.48
LGALS3 P17931 4/20 0.48
LGALS7; LGALS7B P47929 3/20 0.48
LMNA P02545 2/20 0.40
PTPN1 P18031 3/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
LGALS8 O00214 2/20 0.37
GAA P10253 1/20 0.37
BCHE P06276 3/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 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
SCHEMBL16769133 1.00 LGALS9 (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL19391968 0.89 LGALS9 (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL18874981 0.87 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL12747029 0.87 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL17320700 0.87 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL12150955 0.87 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL12150947 0.86 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL16904875 0.86 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL26808443 0.86 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL18650717 0.86 LGALS3 (0.40) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362389-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2016-12-15 US disclosed
US-9475835-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) 2016-10-25 US disclosed
US-20160024132-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL) CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2016-01-28 US disclosed
US-9221865-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) 2015-12-29 US disclosed
US-9187514-B2 2015-11-17 US disclosed
US-20150152131-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2015-06-04 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 (3 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-20150152131-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B LGALS9 2727/4885LGALS1 1951/4885LGALS3 3034/4885
US-20160024132-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL) CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B LGALS9 2727/4885LGALS1 1951/4885LGALS3 3034/4885
US-20160362389-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B LGALS9 2727/4885LGALS1 1951/4885LGALS3 3034/4885

“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.