SCHEMBL14946211

SCHEMBL14946211

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 1/20 0.48
TK2 O00142 7/20 0.43
TK1 P04183 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TYMP P19971 1/20 0.37
PYGM P11217 3/20 0.37

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
SCHEMBL14929186 1.00 DNPH1 (0.48) DNPH1TK2TK1LMNATHRB
SCHEMBL14928925 0.94 TK2 (0.42) DNPH1TK2TK1LMNATHRB
SCHEMBL14946210 0.94 TK2 (0.42) DNPH1TK2TK1LMNATHRB
SCHEMBL14928974 0.91 TK2 (0.40) DNPH1TK2TK1LMNATHRB
SCHEMBL18561514 0.91 TK2 (0.40) DNPH1TK2TK1LMNATHRB
SCHEMBL14928922 0.87 TK2 (0.53) TK2TK1LMNATYMP
SCHEMBL14928930 0.87 TK2 (0.53) TK2TK1LMNATYMP
SCHEMBL16805355 0.86 PYGM (0.50) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL14929102 0.86 PYGM (0.50) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL16340827 0.84 TK2 (0.57) DNPH1TK2PYGM

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-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX, INC. 2017-03-02 US disclosed
US-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-05-16 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 DNPH1 467/4885TK2 151/4885TK1 198/4885
US-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 DNPH1 467/4885TK2 151/4885TK1 198/4885

“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.