SCHEMBL16631657

SCHEMBL16631657

Cc1c(C)n2cc([C@@H]3O[C@H](CO)C(O)[C@@H]3O)c(=S)nc2[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
STAT6 P42226 1/20 0.36
HIF1A Q16665 1/20 0.36
PNP P00491 2/20 0.35
CDK1 P06493 1/20 0.35
P2RY2 P41231 1/20 0.35
CDA P32320 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 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
SCHEMBL16631699 0.90 MAPT (0.35) PYGMMAPTKDM4EGMNNLMNA
SCHEMBL16631604 0.90 MAPT (0.35) PYGMMAPTKDM4EGMNNLMNA
SCHEMBL16631441 0.89 PYGM (0.38) PYGMMAPTKDM4EGMNNLMNA
SCHEMBL16631446 0.83 CDK1 (0.42) MAPTKDM4EGMNNLMNABLM
SCHEMBL16631542 0.83 MAPT (0.36) PYGMMAPTKDM4EGMNNLMNA
SCHEMBL16631671 0.82 KDM4E (0.39) MAPTKDM4EGMNNLMNABLM
SCHEMBL18080266 0.81 P2RY2 (0.49) P2RY2
SCHEMBL16631702 0.79 PNP (0.35) PYGMMAPTKDM4EGMNNLMNA
SCHEMBL16631646 0.79 PNP (0.35) PYGMMAPTKDM4EGMNNLMNA
SCHEMBL16631487 0.79 MAPT (0.41) PYGMMAPTKDM4EGMNNLMNA

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 PYGM 303/4885MAPT 3290/4885KDM4E 4689/4885

“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.