SCHEMBL16342011

SCHEMBL16342011

CO[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(Br)c(=O)n(C(=O)c2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.40
TK2 O00142 4/20 0.40
LGALS3 P17931 2/20 0.39
PYGM P11217 1/20 0.39
LGALS9 O00182 1/20 0.39
LGALS1 P09382 1/20 0.39
LGALS7; LGALS7B P47929 1/20 0.39
LGALS8 O00214 2/20 0.37
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16340896 0.91 TK2 (0.42) TYMPTK2LGALS3PYGMLGALS9
SCHEMBL9135382 0.88 LGALS9 (0.38) TK2LGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL18561507 0.85 KMT2A (0.34) ALDH1A1
SCHEMBL14929106 0.85 KMT2A (0.34) ALDH1A1
SCHEMBL16341608 0.84 LGALS8 (0.37) TK2LGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL23906013 0.77 TSHR (0.47) ALDH1A1
SCHEMBL16781791 0.77 TSHR (0.47) ALDH1A1
SCHEMBL16807741 0.77 TSHR (0.47) ALDH1A1
SCHEMBL14928934 0.77 KMT2A (0.33) ALDH1A1
SCHEMBL16805352 0.77 KMT2A (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428535-B2 Modified nucleosides, nucleotides, and nucleic acids, and uses thereof MODERNA THERAPEUTICS, INC. (US) 2016-08-30 US disclosed
US-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-05-16 US disclosed
US-20130115272-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-05-09 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-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 TYMP 32/4885TK2 151/4885LGALS3 1820/4885

“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.