SCHEMBL14929281

SCHEMBL14929281

CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 5/20 0.40
P2RY4 P51582 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
RNASE1 P07998 1/20 0.39
HSD17B10 Q99714 1/20 0.38
DUT P33316 2/20 0.36
POLA1 P09884 1/20 0.36
SLC28A1 O00337 1/20 0.35
SLC28A2 O43868 1/20 0.35
SLC29A1 Q99808 1/20 0.35
SLC28A3 Q9HAS3 1/20 0.35
P2RY12 Q9H244 2/20 0.35
CRBN Q96SW2 1/20 0.34
P2RY6 Q15077 1/20 0.34

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
SCHEMBL23348448 0.92 POLB (0.47) P2RY2P2RY4POLBMEN1USP2
SCHEMBL14853784 0.92 POLB (0.47) P2RY2P2RY4POLBMEN1USP2
SCHEMBL1828639 0.92 POLB (0.47) P2RY2P2RY4POLBMEN1USP2
SCHEMBL6422530 0.92 POLB (0.47) P2RY2P2RY4POLBMEN1USP2
SCHEMBL13471844 0.92 POLB (0.47) P2RY2P2RY4POLBMEN1USP2
SCHEMBL16125703 0.88 CYP3A4 (0.41) P2RY2P2RY4POLBMEN1USP2
SCHEMBL12214063 0.88 CYP3A4 (0.46) P2RY2P2RY4POLBMEN1USP2
SCHEMBL12966927 0.87 POLB (0.38) P2RY2P2RY4POLBMEN1USP2
SCHEMBL25579717 0.83 POLB (0.49) P2RY2P2RY4POLBMEN1USP2
SCHEMBL13134791 0.83 CYP3A4 (0.39) P2RY2P2RY4POLBMEN1USP2

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 P2RY2 558/4885P2RY4 427/4885POLB 125/4885
US-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 P2RY2 558/4885P2RY4 427/4885POLB 125/4885

“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.