SCHEMBL16631464

SCHEMBL16631464

O=c1[nH]c(Cn2cc(-c3ccccc3)nn2)c([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 4/20 0.46
LGALS1 P09382 2/20 0.46
CYP19A1 P11511 1/20 0.40
TK2 O00142 1/20 0.40
TK1 P04183 1/20 0.40
PYGL P06737 3/20 0.40
GBA1 P04062 1/20 0.39

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
SCHEMBL16631476 0.85 TK2 (0.42) TK2TK1
SCHEMBL18080067 0.85 P2RY2 (0.46)
SCHEMBL16631459 0.84 SYNJ2 (0.36)
SCHEMBL16631473 0.83 ADORA3 (0.35)
SCHEMBL16631534 0.82 LGALS1 (0.35) LGALS3LGALS1
SCHEMBL16631280 0.81 ADORA3 (0.41) CYP19A1TK2TK1
SCHEMBL16631348 0.79 GGPS1 (0.31) CYP19A1GBA1
SCHEMBL16631461 0.78 MAPT (0.37) TK2
SCHEMBL16631278 0.76 CA1 (0.42)
SCHEMBL16631457 0.76 TK2 (0.44) LGALS3LGALS1TK2TK1PYGL

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 LGALS3 2438/4885LGALS1 3473/4885CYP19A1 4868/4885

“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.