SCHEMBL3423684

SCHEMBL3423684

COc1ccc(C(OCc2ccccc2)(c2ccc(OC)cc2)C2CN(C(=O)CCCCCNC(=O)OCc3ccccc3)CC2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.46
DPP8 Q6V1X1 3/20 0.43
DPP7 Q9UHL4 3/20 0.43
HTT P42858 1/20 0.42
TGM2 P21980 2/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
NAMPT P43490 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
FOLH1 Q04609 3/20 0.39
DPP4 P27487 2/20 0.39
DPP9 Q86TI2 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
PRKAB2 O43741 1/20 0.38

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 0.98 PREP (0.44) PREPDPP8DPP7HTTTGM2
SCHEMBL3423682 0.86 PREP (0.44) PREPDPP8DPP7HTTTGM2
SCHEMBL3423710 0.86 MMP2 (0.47)
SCHEMBL3422388 0.85 PREP (0.46) PREPDPP8DPP7HTTTGM2
SCHEMBL3423712 0.84 MMP2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3422392 0.83 PREP (0.45) PREPDPP8DPP7HTTTGM2
SCHEMBL12292635 0.82 PREP (0.54) PREPDPP8DPP7HTTTGM2
SCHEMBL3428901 0.82 ALDH1A1 (0.47) HTT
SCHEMBL3422166 0.81 MMP9 (0.47) HTT
SCHEMBL3425231 0.79 KEAP1 (0.42) 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.