SCHEMBL17694108

SCHEMBL17694108

CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 18/20 0.68
▸ SIRT1 Q96EB6 14/20 0.68
▸ SIRT3 Q9NTG7 6/20 0.68
▸ CTSL P07711 1/20 0.64
▸ CTSS P25774 1/20 0.64

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
SCHEMBL17244715 0.94 SIRT5 (0.62) SIRT2SIRT1SIRT3
SCHEMBL17694107 0.93 CTSL (0.68) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL28486381 0.91 CTSL (0.63) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL14157704 0.90 SIRT2 (0.67) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL18907026 0.90 SIRT2 (0.67) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL17435163 0.90 SIRT2 (0.67) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL14157706 0.90 SIRT2 (0.67) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7133785 0.90 SIRT2 (0.66) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL17244714 0.89 SIRT5 (0.60) SIRT2SIRT1SIRT3
SCHEMBL9544530 0.89 SIRT2 (0.57) SIRT2SIRT1SIRT3CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096449-A1 Compositions and Methods Relating to Ionic Salts of Peptides CONNECTICUT INNOVATIONS, INC., AS COLLATERAL AGENT 2017-04-06 — — US disclosed
US-9505709-B2 Compositions and methods relating to ionic salts of peptides CONNECTICUT INNOVATIONS, INC., AS COLLATERAL AGENT 2016-11-29 — — US disclosed
US-20160107985-A1 Compositions and Methods Relating to Ionic Salts of Peptides CONNECTICUT INNOVATIONS, INC., AS COLLATERAL AGENT 2016-04-21 — — 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 (2 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-20170096449-A1 Compositions and Methods Relating to Ionic Salts of Peptides VIP, IAPP, NPPA SIRT2 4703/4885SIRT1 4793/4885SIRT3 4500/4885
US-20160107985-A1 Compositions and Methods Relating to Ionic Salts of Peptides VIP, IAPP, NPPA SIRT2 4703/4885SIRT1 4793/4885SIRT3 4500/4885

“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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