SCHEMBL16631432

SCHEMBL16631432

CO[C@H]1C(O)[C@@H](CO)O[C@H]1c1cc(C)c(=O)[nH]c1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.38
TNF P01375 1/20 0.38
IL6 P05231 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SLC5A2 P31639 7/20 0.37
LGALS3 P17931 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LGALS9 O00182 1/20 0.35
LGALS1 P09382 1/20 0.35
LGALS8 O00214 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL16631354 0.88 TK2 (0.37) TK2TNFIL6LMNATSHR
SCHEMBL16631250 0.86 SLC5A2 (0.44) SLC5A2
SCHEMBL16631574 0.85 TK2 (0.36) TK2TNFIL6LMNATSHR
SCHEMBL16631232 0.84 TK2 (0.35) TK2TNFIL6LMNATSHR
SCHEMBL16631254 0.82 SLC5A2 (0.38) TNFIL6SLC5A2ALDH1A1
SCHEMBL16631380 0.82 PYGL (0.36) TNFIL6LMNATSHRSLC5A2
SCHEMBL16631431 0.81 SLC28A1 (0.39) SLC5A2LGALS3ALDH1A1LGALS9LGALS1
SCHEMBL18079986 0.79 P2RY2 (0.48)
SCHEMBL18079915 0.78 SLC5A2 (0.41) TNFIL6LMNATSHRSLC5A2
SCHEMBL18512839 0.77 LGALS8 (0.38) TNFIL6LMNATSHRSLC5A2

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.