SCHEMBL16299756

SCHEMBL16299756

CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCN=[N+]=[N-]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
MGLL Q99685 1/20 0.52
DGKA P23743 2/20 0.51
FAAH O00519 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
CNR1 P21554 1/20 0.51
P2RY10 O00398 4/20 0.49
GPR34 Q9UPC5 1/20 0.49
LPAR1 Q92633 2/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL16299781 0.96 MGLL (0.59) PRSS1PRSS2PRSS3MGLLALDH1A1
SCHEMBL16299753 0.92 PRSS1 (0.64) PRSS1PRSS2PRSS3DGKAFAAH
SCHEMBL16299767 0.92 PRSS1 (0.64) PRSS1PRSS2PRSS3DGKAFAAH
SCHEMBL25247276 0.86 DGKA (0.69) MGLLDGKAFAAHALDH1A1MAPT
SCHEMBL25246800 0.86 DGKA (0.69) MGLLDGKAFAAHALDH1A1MAPT
SCHEMBL25249563 0.86 DGKA (0.69) MGLLDGKAFAAHALDH1A1MAPT
SCHEMBL25298415 0.86 DGKA (0.69) MGLLDGKAFAAHALDH1A1MAPT
SCHEMBL25288167 0.86 DGKA (0.69) MGLLDGKAFAAHALDH1A1MAPT
SCHEMBL25287675 0.86 DGKA (0.69) MGLLDGKAFAAHALDH1A1MAPT
SCHEMBL25246317 0.86 DGKA (0.69) MGLLDGKAFAAHALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2015-07-23 US disclosed
US-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2015-07-23 US disclosed
US-8962580-B2 Chemical modifications of monomers and oligonucleotides with cycloaddition ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-8962580-B2 Chemical modifications of monomers and oligonucleotides with cycloaddition ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-09 US 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 (2 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-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 PRSS1 4276/4885PRSS2 4392/4885PRSS3 4270/4885
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 PRSS1 4276/4885PRSS2 4392/4885PRSS3 4270/4885

“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.