SCHEMBL16631534

SCHEMBL16631534

CC(C)c1cn(Cc2[nH]c(=O)[nH]c(=O)c2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)nn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 1/20 0.35
LGALS3 P17931 1/20 0.35
PYGM P11217 3/20 0.34
PAX8 Q06710 1/20 0.34
SLC5A2 P31639 1/20 0.34
HPGD P15428 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
SYNJ2 O15056 1/20 0.32

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
SCHEMBL16631459 0.87 SYNJ2 (0.36) PYGMSLC5A2SYNJ2
SCHEMBL16631473 0.85 ADORA3 (0.35) SLC5A2ADORA3ADORA1
SCHEMBL18080062 0.83 P2RY2 (0.44)
SCHEMBL16631476 0.82 TK2 (0.42) SLC5A2ADORA3ADORA1
SCHEMBL16631373 0.82
SCHEMBL16631464 0.82 LGALS3 (0.46) LGALS1LGALS3
SCHEMBL16631461 0.79 MAPT (0.37) SLC5A2HPGDSYNJ2
SCHEMBL16631276 0.78 SLC5A2 (0.35) SLC5A2
SCHEMBL16631260 0.77 LGALS3 (0.38) LGALS3SLC5A2ADORA3ADORA1
SCHEMBL16631280 0.77 ADORA3 (0.41) SLC5A2ADORA3ADORA1

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 LGALS1 3473/4885LGALS3 2438/4885PYGM 303/4885

“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.