SCHEMBL16299776

SCHEMBL16299776

CCCCN(CCCCN(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.45
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA9 Q16790 2/20 0.34
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC3 O15379 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
CA7 P43166 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL16299788 0.99 CA14 (0.44) CA14MMP1MMP2MMP3MMP8
SCHEMBL15368955 0.99 CA14 (0.44) CA14MMP1MMP2MMP3MMP8
SCHEMBL16299773 0.96 CA14 (0.44) CA14MMP1MMP2MMP3MMP8
SCHEMBL20730040 0.89 CA14 (0.42) CA14HDAC1HDAC2HDAC6CTSK
SCHEMBL23765707 0.86 CA14 (0.43) CA14HDAC1HDAC2HDAC6
SCHEMBL16299792 0.86 CA14 (0.43) CA14
SCHEMBL13671561 0.86 CA14 (0.43) CA14
SCHEMBL23765714 0.85 CA14 (0.42) CA14HDAC1HDAC2HDAC6
SCHEMBL23765705 0.85 CA14 (0.42) CA14HDAC1HDAC2HDAC6
SCHEMBL24068638 0.85 CA14 (0.42) CA14HDAC1HDAC2HDAC6

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-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-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 CA14 2855/4885MMP1 3878/4885MMP2 4799/4885
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 CA14 2855/4885MMP1 3878/4885MMP2 4799/4885

“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.