SCHEMBL18660692

SCHEMBL18660692

CC(C)C(NC(=O)C(C)(C)C)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 12/20 0.43
▸ SIRT1 Q96EB6 11/20 0.43
▸ SIRT3 Q9NTG7 3/20 0.43
▸ SIRT5 Q9NXA8 3/20 0.42
▸ FURIN P09958 2/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL20340745 0.93 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL19084461 0.93 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL18660691 0.90 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL24450761 0.90 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL22546818 0.90 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL20798918 0.90 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL24451192 0.90 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL21566760 0.87 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL22541220 0.86 FURIN (0.40) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL20435038 0.85 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239957-B2 Peptide containing conjugates for dual molecular delivery of oligonucleotides MERCK SHARP & DOHME CORP. (US) 2019-03-26 — — US disclosed
US-20190015442-A1 DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AND PEPTIDE CONTAINING CONJUGATES MERCK SHARP & DOHME CORP. (US) 2019-01-17 — — US disclosed
US-10010562-B2 Dual molecular delivery of oligonucleotides and peptide containing conjugates MERCK SHARP & DOHME CORP. (US) 2018-07-03 — — US disclosed
US-20170189441-A1 DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AND PEPTIDE CONTAINING CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-07-06 — — US disclosed
US-20170081425-A1 PEPTIDE CONTAINING CONJUGATES FOR DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2017-03-23 — — 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 (5 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-10010562-B2 Dual molecular delivery of oligonucleotides and peptide containing conjugates DCLRE1A, DCLRE1B, LNPEP SIRT2 3590/4885SIRT1 3858/4885SIRT3 4003/4885
US-20190015442-A1 DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AND PEPTIDE CONTAINING CONJUGATES DCLRE1A, DCLRE1B, LNPEP SIRT2 3828/4885SIRT1 4066/4885SIRT3 4120/4885
US-10239957-B2 Peptide containing conjugates for dual molecular delivery of oligonucleotides AGBL2, LNPEP, DCLRE1B SIRT2 4328/4885SIRT1 4653/4885SIRT3 4701/4885
US-20170081425-A1 PEPTIDE CONTAINING CONJUGATES FOR DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AGBL2, LNPEP, DCLRE1B SIRT2 4328/4885SIRT1 4653/4885SIRT3 4701/4885
US-20170189441-A1 DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AND PEPTIDE CONTAINING CONJUGATES DCLRE1A, DCLRE1B, LNPEP SIRT2 3590/4885SIRT1 3858/4885SIRT3 4003/4885

“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.

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