SCHEMBL17815262

SCHEMBL17815262

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 8/20 0.42
▸ SIRT1 Q96EB6 7/20 0.42
▸ SIRT5 Q9NXA8 3/20 0.41
▸ SIRT3 Q9NTG7 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ NPY4R P50391 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ MAP1LC3B Q9GZQ8 2/20 0.38
▸ FURIN P09958 2/20 0.38
▸ ROCK2 O75116 1/20 0.37

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
SCHEMBL19709072 1.00 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL21780990 1.00 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL17722898 1.00 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL21008362 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL21413563 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL20467873 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL26412865 0.94 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL17722938 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL19046498 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT
SCHEMBL17815409 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT5SIRT3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355769-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2017-12-14 — — US disclosed
US-20170298139-A1 COMPOSITIONS OF ANTIBODY CONSTRUCT-AGONIST CONJUGATES AND METHODS OF USE THEREOF OPI VI - IP HOLDCO LLC 2017-10-19 — — US disclosed
US-20170182179-A1 Antibody Drug Conjugates with Cell Permeable BCL-XL Inhibitors ABBVIE INC. (US) 2017-06-29 — — US disclosed
US-20160339117-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-11-24 — — US disclosed
WO-2016094505-A1 ANTIBODY DRUG CONJUGATES WITH CELL PERMEABLE BCL-XL INHIBITORS ABBVIE INC. (US) 2016-06-16 — — WO disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 — — 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-20170298139-A1 COMPOSITIONS OF ANTIBODY CONSTRUCT-AGONIST CONJUGATES AND METHODS OF USE THEREOF STING1, CGAS, TLR7 SIRT2 4743/4885SIRT1 4682/4885SIRT5 4022/4885
US-20170182179-A1 Antibody Drug Conjugates with Cell Permeable BCL-XL Inhibitors BCL2, BCL2L10, BAX SIRT2 973/4885SIRT1 1185/4885SIRT5 1519/4885
US-20170355769-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES HRH3, H1-3, CD274 SIRT2 1129/4885SIRT1 1553/4885SIRT5 538/4885
US-20160339117-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 SIRT2 1593/4885SIRT1 1444/4885SIRT5 1462/4885
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX SIRT2 942/4885SIRT1 871/4885SIRT5 1123/4885

“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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