SCHEMBL16631868

SCHEMBL16631868

Cc1c2cc([C@@H]3O[C@H](CO)C(O)[C@@H]3O)c(=O)nc-2[nH]c(C(F)(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT6 P42226 1/20 0.35
HIF1A Q16665 1/20 0.35
SYNJ2 O15056 1/20 0.35
SLC5A2 P31639 7/20 0.35
SLC5A1 P13866 5/20 0.35
PYGL P06737 2/20 0.34
MMP14 P50281 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 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
SCHEMBL16631872 0.92 KDM4E (0.35) KDM4EMAPTSMN1; SMN2CYP3A4GMNN
SCHEMBL16631640 0.92 KDM4E (0.36) KDM4EMAPTSMN1; SMN2CYP3A4GMNN
SCHEMBL16631869 0.91 KDM4E (0.36) KDM4EMAPTSMN1; SMN2CYP3A4GMNN
SCHEMBL16631844 0.88 KDM4E (0.35) KDM4EMAPTSMN1; SMN2CYP3A4GMNN
SCHEMBL16631632 0.88 KDM4E (0.37) KDM4EMAPTSMN1; SMN2CYP3A4GMNN
SCHEMBL16631366 0.88 KDM4E (0.37) KDM4EMAPTSMN1; SMN2CYP3A4GMNN
SCHEMBL16631518 0.85 KDM4E (0.38) KDM4EMAPTSMN1; SMN2CYP3A4GMNN
SCHEMBL16631371 0.84 KDM4E (0.37) KDM4EMAPTSMN1; SMN2CYP3A4GMNN
SCHEMBL16631562 0.84 KDM4E (0.37) KDM4EMAPTSMN1; SMN2CYP3A4GMNN
SCHEMBL16631626 0.83 KDM4E (0.38) KDM4EMAPTSMN1; SMN2CYP3A4GMNN

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 KDM4E 4689/4885MAPT 3290/4885SMN1; SMN2 263/4885

“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.