SCHEMBL16631232

SCHEMBL16631232

CC#Cc1[nH]c(=O)c(C)cc1[C@@H]1O[C@H](CO)C(O)[C@@H]1OC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.35
TNF P01375 1/20 0.34
IL6 P05231 1/20 0.34
SLC5A2 P31639 6/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
LGALS3 P17931 2/20 0.33
LGALS8 O00214 2/20 0.32
LGALS9 O00182 1/20 0.32
LGALS1 P09382 1/20 0.32
SLC5A1 P13866 1/20 0.32
ACHE P22303 2/20 0.32
BACE1 P56817 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL16631574 0.88 TK2 (0.36) TK2TNFIL6SLC5A2LMNA
SCHEMBL16631266 0.88 SLC5A2 (0.40) SLC5A2SLC5A1
SCHEMBL16631839 0.85 SLC5A2 (0.35) TNFIL6SLC5A2LMNATSHR
SCHEMBL16631432 0.84 TK2 (0.38) TK2TNFIL6SLC5A2LMNA
SCHEMBL16631505 0.83 PYGL (0.33) TNFIL6SLC5A2LMNATSHR
SCHEMBL16631510 0.83 SLC5A2 (0.36) SLC5A2LGALS3LGALS8LGALS9LGALS1
SCHEMBL16631354 0.82 TK2 (0.37) TK2TNFIL6SLC5A2LMNA
SCHEMBL18080011 0.82 P2RY2 (0.44)
SCHEMBL16631219 0.79 OGA (0.32) TNFIL6LMNATSHRLGALS3
SCHEMBL16631220 0.78 TNF (0.32) TNFIL6LMNATSHRLGALS8

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 TK2 123/4885TNF 4770/4885IL6 4623/4885

“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.