SCHEMBL17815311

SCHEMBL17815311

CC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.45
▸ NPY5R Q15761 4/20 0.37
▸ NPY1R P25929 3/20 0.37
▸ NPY4R P50391 3/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ SIRT2 Q8IXJ6 7/20 0.36
▸ SIRT1 Q96EB6 5/20 0.36
▸ SIRT3 Q9NTG7 3/20 0.35
▸ FURIN P09958 2/20 0.35

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
SCHEMBL17722946 1.00 FAP (0.45) FAPNPY5RNPY1RNPY4RNPY2R
SCHEMBL21912925 1.00 FAP (0.45) FAPNPY5RNPY1RNPY4RNPY2R
SCHEMBL22643670 1.00 FAP (0.45) FAPNPY5RNPY1RNPY4RNPY2R
SCHEMBL21861811 1.00 FAP (0.45) FAPNPY5RNPY1RNPY4RNPY2R
SCHEMBL19704788 1.00 FAP (0.45) FAPNPY5RNPY1RNPY4RNPY2R
SCHEMBL20935053 0.95 FAP (0.45) FAPNPY5RNPY1RNPY4RNPY2R
SCHEMBL22314405 0.95 FAP (0.45) FAPNPY5RNPY1RNPY4RNPY2R
SCHEMBL21998545 0.95 FAP (0.45) FAPNPY5RNPY1RNPY4RNPY2R
SCHEMBL23877006 0.94 FAP (0.44) FAPNPY5RNPY1RNPY4RNPY2R
SCHEMBL20841072 0.93 FAP (0.44) FAPNPY5RNPY1RNPY4RNPY2R

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 8 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
WO-2017214456-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 — — WO disclosed
WO-2017214335-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 — — WO 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-2016094517-A1 BCL-XL INHIBITORY COMPOUNDS AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME 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 FAP 4182/4885NPY5R 723/4885NPY1R 745/4885
US-20170182179-A1 Antibody Drug Conjugates with Cell Permeable BCL-XL Inhibitors BCL2, BCL2L10, BAX FAP 3670/4885NPY5R 4345/4885NPY1R 4163/4885
US-20170355769-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES HRH3, H1-3, CD274 FAP 3796/4885NPY5R 1908/4885NPY1R 2475/4885
US-20160339117-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 FAP 3962/4885NPY5R 4288/4885NPY1R 4041/4885
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX FAP 4180/4885NPY5R 4108/4885NPY1R 3702/4885

“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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