SCHEMBL3422392

SCHEMBL3422392

COc1ccc(COC(c2ccccc2)(c2ccc(OC)cc2)C2CC(O)CN2C(=O)CCCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.45
HTT P42858 1/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
TGM2 P21980 1/20 0.38
DPP4 P27487 2/20 0.38
DPP9 Q86TI2 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ABCB1 P08183 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FOLH1 Q04609 3/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TPSAB1 Q15661 1/20 0.36

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
SCHEMBL3422388 0.98 PREP (0.46) PREPHTTDPP8DPP7TGM2
SCHEMBL3425237 0.89 KEAP1 (0.41) HTTDPP8DPP7TGM2DPP4
SCHEMBL3425231 0.87 KEAP1 (0.42) PREPHTTDPP8DPP7TGM2
SCHEMBL3422527 0.86 TBXAS1 (0.39) SIRT2SIRT1SIRT3
SCHEMBL3427735 0.86 KIF11 (0.38) MAPTCHRM5CHRM1CHRM3
SCHEMBL3422521 0.86 TLR2 (0.39) PREPSIRT2SIRT1SIRT3
SCHEMBL3427733 0.85 NPC1 (0.36) DPP4MAPTCHRM5CHRM1CHRM3
SCHEMBL3428444 0.85 RAB9A (0.38) DPP4L3MBTL1CHRM5CHRM1CHRM3
SCHEMBL3423687 0.85 PREP (0.44) PREPHTTDPP8DPP7TGM2
SCHEMBL3423554 0.85 BCL2 (0.37) L3MBTL1SIRT2CHRM5CHRM1CHRM3

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 4740/4885HTT 1329/4885DPP8 2911/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885HTT 1329/4885DPP8 2911/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885HTT 1329/4885DPP8 2911/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885HTT 1329/4885DPP8 2911/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PREP 4740/4885HTT 1329/4885DPP8 2911/4885
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 3782/4885HTT 1913/4885DPP8 2037/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PREP 4740/4885HTT 1329/4885DPP8 2911/4885

“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.