SCHEMBL3437239

SCHEMBL3437239

CCCCCCCCCCCCCCCC(=O)C(=O)C(O)(CO)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 11/20 0.52
CES2 O00748 6/20 0.52
FAAH O00519 12/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.42

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
SCHEMBL8015947 1.00 CES1 (0.52) CES1CES2FAAHMEN1KMT2A
SCHEMBL8013027 1.00 CES1 (0.52) CES1CES2FAAHMEN1KMT2A
SCHEMBL8015133 1.00 CES1 (0.52) CES1CES2FAAHMEN1KMT2A
SCHEMBL8016101 0.91 FAAH (0.56) CES1FAAHKMT2ACYP1A2HSD17B10
SCHEMBL3777162 0.89 FAAH (0.59) CES1CES2FAAHMEN1KMT2A
SCHEMBL3778978 0.89 FAAH (0.59) CES1CES2FAAHMEN1KMT2A
SCHEMBL3787603 0.89 FAAH (0.59) CES1CES2FAAHMEN1KMT2A
SCHEMBL3777756 0.89 FAAH (0.59) CES1CES2FAAHMEN1KMT2A
SCHEMBL9435633 0.89 FAAH (0.59) CES1CES2FAAHMEN1KMT2A
SCHEMBL4812989 0.86 CES1 (0.52) CES1CES2FAAHMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807653-B2 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-10-05 US disclosed
US-7598230-B2 For the treatment of viral infections, microbial infections, and proliferative disorders; contain di- or triphosphate moeity mimetics, such as those containing boron anions BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2009-10-06 US disclosed
US-20070265224-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-15 US disclosed
US-20070259832-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-08 US disclosed
US-7285658-B2 Nucleotide mimics and their prodrugs BIOTA, INC. (US) 2007-10-23 US disclosed
EP-1485395-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS Biota, Inc. (US) 2004-12-15 EP disclosed
WO-2003072757-A9 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA INC (US) 2004-10-21 WO disclosed
US-20040059104-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-03-25 US disclosed
WO-2003072757-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA, INC. (US) 2003-09-04 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 (3 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-20070259832-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP CES1 3057/4885CES2 3671/4885FAAH 4781/4885
US-20070265224-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP CES1 3057/4885CES2 3671/4885FAAH 4781/4885
US-20040059104-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP CES1 3057/4885CES2 3671/4885FAAH 4781/4885

“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.