SCHEMBL16805355

SCHEMBL16805355

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.50
P2RY6 Q15077 3/20 0.44
TK2 O00142 6/20 0.41
P2RY2 P41231 2/20 0.40
P2RY4 P51582 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HIF1A Q16665 1/20 0.39
SQOR Q9Y6N5 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL14929102 1.00 PYGM (0.50) PYGMP2RY6TK2P2RY2P2RY4
SCHEMBL767858 0.88 PYGM (0.49) PYGMP2RY6TK2P2RY2P2RY4
SCHEMBL16943081 0.88 PYGM (0.49) PYGMP2RY6TK2P2RY2P2RY4
SCHEMBL14928925 0.88 TK2 (0.42) TK2SMN1; SMN2LMNATHRBHIF1A
SCHEMBL14928930 0.88 TK2 (0.53) TK2LMNAALDH1A1POLB
SCHEMBL14946210 0.88 TK2 (0.42) TK2SMN1; SMN2LMNATHRBHIF1A
SCHEMBL14928922 0.88 TK2 (0.53) TK2LMNAALDH1A1POLB
SCHEMBL18561514 0.87 TK2 (0.40) PYGMP2RY6TK2SMN1; SMN2LMNA
SCHEMBL14928974 0.87 TK2 (0.40) PYGMP2RY6TK2SMN1; SMN2LMNA
SCHEMBL18561509 0.86 PYGM (0.51) PYGMP2RY6TK2P2RY2P2RY4

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-20150167017-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. 2015-06-18 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-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 PYGM 1594/4885P2RY6 339/4885TK2 151/4885

“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.