SCHEMBL3423682

SCHEMBL3423682

COc1ccc(C(OCC2CN(C(=O)CCCCCNC(=O)OCc3ccccc3)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.44
DPP8 Q6V1X1 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
HTT P42858 1/20 0.40
TGM2 P21980 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
NAMPT P43490 1/20 0.38
FOLH1 Q04609 4/20 0.38
DPP4 P27487 2/20 0.38
DPP9 Q86TI2 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
SLC6A1 P30531 2/20 0.37
SLC6A11 P48066 1/20 0.37

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
SCHEMBL3423687 0.86 PREP (0.44) PREPDPP8DPP7HTTTGM2
SCHEMBL3423684 0.86 PREP (0.46) PREPDPP8DPP7HTTTGM2
SCHEMBL3422387 0.84 PREP (0.45) PREPDPP8DPP7HTTTGM2
SCHEMBL12244756 0.84 PREP (0.45) PREPDPP8DPP7HTTTGM2
SCHEMBL12244755 0.83 PREP (0.45) PREPDPP8DPP7HTTTGM2
SCHEMBL15102712 0.82 PREP (0.42) PREPDPP8DPP7HTTTGM2
SCHEMBL16392607 0.82 PREP (0.49) PREPDPP8DPP7HTTKEAP1
SCHEMBL12292635 0.82 PREP (0.54) PREPDPP8DPP7HTTTGM2
SCHEMBL20218236 0.81 MMP9 (0.40) HDAC6NAMPTSLC6A1SLC6A11
SCHEMBL3426428 0.80 PREP (0.54) PREPDPP8DPP7HTTTGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220403377-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-11312957-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-10676740-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20190345498-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2019-11-14 US disclosed
US-20180258427-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2018-09-13 US disclosed
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed
US-9394540-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20140316124-A1 MODIDIFED iRNA AGENTS BANK OF AMERICA, N.A. 2014-10-23 US disclosed
US-8796436-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20130211063-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8507661-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100292455-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-11-18 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-20050107325-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; antitumor biodrugs ALNYLAM PHARMACEUTICALS, INC. 2005-05-19 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 (7 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-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885DPP8 2911/4885DPP7 3955/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885DPP8 2911/4885DPP7 3955/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885DPP8 2911/4885DPP7 3955/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885DPP8 2911/4885DPP7 3955/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PREP 4740/4885DPP8 2911/4885DPP7 3955/4885
US-20050107325-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; antitumor biodrugs LDLR, SLC29A1, SLC29A2 PREP 3782/4885DPP8 2037/4885DPP7 2805/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PREP 4740/4885DPP8 2911/4885DPP7 3955/4885

“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.