SCHEMBL16631596

SCHEMBL16631596

C#Cc1[nH]c(=O)cnc1[C@@H]1O[C@H](CO)C(O)[C@@H]1OC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
LGALS8 O00214 3/20 0.32
PNP P00491 1/20 0.32
OGA O60502 1/20 0.32
LGALS3 P17931 1/20 0.32
SLC5A2 P31639 1/20 0.32
MAPT P10636 1/20 0.31
CDA P32320 1/20 0.31
TNF P01375 1/20 0.31
IL6 P05231 1/20 0.31

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
SCHEMBL16631217 0.88 PYGL (0.33) PYGLLGALS8PNPOGALGALS3
SCHEMBL16631239 0.86 PYGL (0.42) PYGLPNPMAPTCDA
SCHEMBL16631847 0.85
SCHEMBL16631834 0.84 PYGL (0.36) PYGLLGALS8PNPOGALGALS3
SCHEMBL16631174 0.83 PYGL (0.35) PYGLPNPMAPTCDA
SCHEMBL16631833 0.83 PYGL (0.35) PYGLLGALS8PNPOGALGALS3
SCHEMBL16631528 0.81 PYGL (0.34) PYGLADORA3ADORA2AADORA1LGALS8
SCHEMBL16631507 0.80 OGA (0.32) ADORA3ADORA2AADORA1LGALS8PNP
SCHEMBL16631572 0.80 SLC5A2 (0.37) LGALS8LGALS3SLC5A2
SCHEMBL16631598 0.77 LGALS3 (0.35) LGALS8LGALS3SLC5A2TNFIL6

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 PYGL 649/4885ADORA3 609/4885ADORA2A 619/4885

“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.