SCHEMBL14928930

SCHEMBL14928930

CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(OC(C)=O)[C@H]1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.53
TYMP P19971 5/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ALB P02768 1/20 0.46
POLB P06746 1/20 0.46
ADRA1A P35348 1/20 0.46
BLM P54132 1/20 0.46
TK1 P04183 1/20 0.43

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
SCHEMBL14928922 1.00 TK2 (0.53) TK2TYMPALDH1A1LMNAALB
SCHEMBL14928925 0.89 TK2 (0.42) TK2LMNATK1
SCHEMBL14946210 0.89 TK2 (0.42) TK2LMNATK1
SCHEMBL14929102 0.88 PYGM (0.50) TK2ALDH1A1LMNAPOLB
SCHEMBL16805355 0.88 PYGM (0.50) TK2ALDH1A1LMNAPOLB
SCHEMBL14946211 0.87 DNPH1 (0.48) TK2TYMPLMNATK1
SCHEMBL14929186 0.87 DNPH1 (0.48) TK2TYMPLMNATK1
SCHEMBL18561514 0.86 TK2 (0.40) TK2TYMPLMNATK1
SCHEMBL14928974 0.86 TK2 (0.40) TK2TYMPLMNATK1
SCHEMBL16904868 0.86 RNASE1 (0.57) TK2TYMPALDH1A1LMNAALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX, INC. 2017-03-02 US disclosed
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 (2 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 TK2 151/4885TYMP 32/4885ALDH1A1 2620/4885
US-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 TK2 151/4885TYMP 32/4885ALDH1A1 2620/4885

“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.