SCHEMBL16631821

SCHEMBL16631821

CO[C@H]1C(O)[C@@H](CO)O[C@H]1c1c(F)cc(=O)[nH]c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.37
IL6 P05231 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
LGALS3 P17931 5/20 0.36
SLC5A2 P31639 1/20 0.36
LGALS8 O00214 4/20 0.35
LGALS1 P09382 2/20 0.34
SLC5A1 P13866 1/20 0.34
SYNJ2 O15056 1/20 0.33
B4GALT1 P15291 1/20 0.33
P2RY14 Q15391 1/20 0.33
LGALS9 O00182 1/20 0.33

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
SCHEMBL16631817 0.89 TNF (0.36) TNFIL6LMNATSHRLGALS3
SCHEMBL16631598 0.85 LGALS3 (0.35) TNFIL6LMNATSHRLGALS3
SCHEMBL16631823 0.85 SYNJ2 (0.42) LMNATSHRSLC5A2SLC5A1SYNJ2
SCHEMBL16631218 0.85 LGALS3 (0.35) TNFIL6LMNATSHRLGALS3
SCHEMBL16631249 0.83 CDA (0.38) TNFIL6LMNATSHRSLC5A2
SCHEMBL18079998 0.80 P2RY2 (0.51) B4GALT1P2RY14
SCHEMBL16631379 0.80 SLC28A3 (0.38) LGALS3SLC5A2LGALS8LGALS1SLC5A1
SCHEMBL16631819 0.79 TNF (0.35) TNFIL6LMNATSHRLGALS3
SCHEMBL16631816 0.79 SLC5A2 (0.36) TNFIL6LMNATSHRLGALS3
SCHEMBL16631833 0.78 PYGL (0.35) TNFIL6LGALS3SLC5A2LGALS8

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 TNF 4770/4885IL6 4623/4885LMNA 776/4885

“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.