SCHEMBL21778321

SCHEMBL21778321

CO[C@@H]1O[C@H](COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.49
LGALS8 O00214 3/20 0.48
USP2 O75604 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
LGALS3 P17931 2/20 0.47
LGALS9 O00182 1/20 0.47
LGALS1 P09382 1/20 0.47
LGALS7; LGALS7B P47929 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LGALS4 P56470 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN11 Q06124 1/20 0.44
SELP P16109 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TMPRSS2 O15393 1/20 0.42
PDE5A O76074 1/20 0.42
HMGCR P04035 1/20 0.42

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
SCHEMBL13672342 1.00 PTPN1 (0.49) PTPN1LGALS8USP2MEN1POLB
SCHEMBL13486956 1.00 PTPN1 (0.49) PTPN1LGALS8USP2MEN1POLB
SCHEMBL13151560 1.00 PTPN1 (0.49) PTPN1LGALS8USP2MEN1POLB
SCHEMBL5981712 1.00 PTPN1 (0.49) PTPN1LGALS8USP2MEN1POLB
SCHEMBL15095568 1.00 PTPN1 (0.49) PTPN1LGALS8USP2MEN1POLB
SCHEMBL9112182 0.96 PTPN1 (0.51) PTPN1LGALS8USP2MEN1POLB
SCHEMBL976416 0.94 PTPN1 (0.48) PTPN1LGALS8USP2MEN1POLB
SCHEMBL7150482 0.94 LGALS8 (0.53) PTPN1LGALS8USP2MEN1POLB
SCHEMBL5379160 0.91 PTPN1 (0.55) PTPN1USP2MEN1POLBKMT2A
SCHEMBL20693186 0.91 PTPN1 (0.55) PTPN1USP2MEN1POLBKMT2A

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-10577359-B2 Preparation of 2′-fluoro-2′-alkyl-substituted or other optionally substituted ribofuranosyl pyrimidines and purines and their derivatives GILEAD PHARMASSET LLC (US) 2020-03-03 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-10577359-B2 Preparation of 2′-fluoro-2′-alkyl-substituted or other optionally substituted ribofuranosyl pyrimidines and purines and their derivatives NSUN2, FBL, RNGTT PTPN1 3853/4885LGALS8 2010/4885USP2 4015/4885

“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.