SCHEMBL3422387

SCHEMBL3422387

COc1ccc(C(OCC2CC(O)CN2C(=O)CCCCCNC(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.45
ABCB1 P08183 1/20 0.39
HTT P42858 1/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
TGM2 P21980 1/20 0.38
HDAC6 Q9UBN7 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
FOLH1 Q04609 3/20 0.37
NR1H4 Q96RI1 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SLC6A1 P30531 2/20 0.36
SLC6A11 P48066 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 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
SCHEMBL12244756 1.00 PREP (0.45) PREPABCB1HTTDPP8DPP7
SCHEMBL15102712 0.97 PREP (0.42) PREPABCB1HTTDPP8DPP7
SCHEMBL12244755 0.92 PREP (0.45) PREPABCB1HTTDPP8DPP7
SCHEMBL16299419 0.90 SIRT2 (0.49) SIRT2SIRT1SIRT3TPSAB1
SCHEMBL13658538 0.90 SIRT2 (0.44) PREPTGM2SIRT2SIRT1SIRT3
SCHEMBL18349638 0.89 ABCB1 (0.42) ABCB1HTTDPP8DPP7TGM2
SCHEMBL13225249 0.89 PREP (0.46) PREPABCB1HTTDPP8DPP7
SCHEMBL10177655 0.89 MMP2 (0.40) HDAC6DPP4SLC6A1SLC6A11
SCHEMBL14978137 0.89 MMP2 (0.40) HDAC6DPP4SLC6A1SLC6A11
SCHEMBL9908643 0.89 MMP2 (0.40) HDAC6DPP4SLC6A1SLC6A11

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 4740/4885ABCB1 1168/4885HTT 1329/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885ABCB1 1168/4885HTT 1329/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885ABCB1 1168/4885HTT 1329/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885ABCB1 1168/4885HTT 1329/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PREP 4740/4885ABCB1 1168/4885HTT 1329/4885
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 3782/4885ABCB1 34/4885HTT 1913/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PREP 4740/4885ABCB1 1168/4885HTT 1329/4885

“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.