SCHEMBL16143152

SCHEMBL16143152

CC(=O)N(C)CCN(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.38
▸ SIRT1 Q96EB6 12/20 0.38
▸ SIRT3 Q9NTG7 3/20 0.38
▸ SIRT5 Q9NXA8 3/20 0.38
▸ NPY4R P50391 2/20 0.36
▸ NPY1R P25929 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
SCHEMBL14887234 0.94 SIRT2 (0.39) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL14887476 0.94 SIRT2 (0.39) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL19387308 0.94 SIRT2 (0.39) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL21604314 0.93 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL18601941 0.93 SIRT2 (0.38) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL20224658 0.93 SIRT2 (0.38) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL16455203 0.92 SIRT2 (0.39) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL19387304 0.92 SIRT2 (0.37) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL19687946 0.92 SIRT2 (0.39) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL15606241 0.92 SIRT2 (0.38) SIRT2SIRT1SIRT3SIRT5NPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022829-A1 TUBULYSIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2016-01-28 — — US disclosed
WO-2014160360-A1 TUBULYSIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC. (US) 2014-10-02 — — WO 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 (1 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-20160022829-A1 TUBULYSIN COMPOUNDS AND CONJUGATES THEREOF LGMN, TLL1, TEK SIRT2 4034/4885SIRT1 3938/4885SIRT3 3661/4885

“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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