SCHEMBL16299753

SCHEMBL16299753

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCN=[N+]=[N-]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.64
PRSS2 P07478 1/20 0.64
PRSS3 P35030 1/20 0.64
DGKA P23743 1/20 0.61
NAAA Q02083 1/20 0.51
DNM1 Q05193 1/20 0.51
HTR2C P28335 1/20 0.50
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PAM P19021 2/20 0.47
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 1/20 0.44
P2RY10 O00398 1/20 0.43

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
SCHEMBL16299767 1.00 PRSS1 (0.64) PRSS1PRSS2PRSS3DGKANAAA
SCHEMBL16299756 0.92 PRSS1 (0.56) PRSS1PRSS2PRSS3DGKAMAPT
SCHEMBL15463108 0.91 PRSS1 (0.52) PRSS1PRSS2PRSS3DGKANAAA
SCHEMBL16299781 0.88 MGLL (0.59) PRSS1PRSS2PRSS3TSHRMAPT
SCHEMBL16329026 0.85 DGKA (0.48) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL25243121 0.83 DGKA (0.87) PRSS1PRSS2PRSS3DGKANAAA
SCHEMBL23042055 0.83 DGKA (0.87) PRSS1PRSS2PRSS3DGKANAAA
SCHEMBL25245209 0.83 DGKA (0.87) PRSS1PRSS2PRSS3DGKANAAA
SCHEMBL23041629 0.83 DGKA (0.87) PRSS1PRSS2PRSS3DGKANAAA
SCHEMBL23041315 0.83 DGKA (0.87) PRSS1PRSS2PRSS3DGKANAAA

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.