SCHEMBL3266288

SCHEMBL3266288

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
SSTR2 P30874 2/20 0.39
FOLH1 Q04609 3/20 0.36
TTR P02766 2/20 0.35
REN P00797 1/20 0.35
CTSD P07339 3/20 0.35
CTSE P14091 1/20 0.35
BACE1 P56817 1/20 0.35
ANPEP P15144 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
CALCRL Q16602 1/20 0.34

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
SCHEMBL13838248 1.00 CYP3A4 (0.41) CYP3A4SSTR2FOLH1TTRREN
SCHEMBL12571933 0.94 CYP3A4 (0.40) CYP3A4SSTR2FOLH1TTRREN
SCHEMBL15047596 0.94 CYP3A4 (0.43) CYP3A4SSTR2FOLH1TTRREN
SCHEMBL1687443 0.94 CYP3A4 (0.43) CYP3A4SSTR2FOLH1TTRREN
SCHEMBL20684299 0.94 CYP3A4 (0.43) CYP3A4SSTR2FOLH1TTRREN
SCHEMBL2734904 0.93 CYP3A4 (0.42) CYP3A4SSTR2FOLH1TTRREN
SCHEMBL19490727 0.93 CYP3A4 (0.42) CYP3A4SSTR2FOLH1TTRREN
SCHEMBL19372571 0.93 CYP3A4 (0.42) CYP3A4SSTR2FOLH1TTRREN
SCHEMBL13034951 0.93 CYP3A4 (0.42) CYP3A4SSTR2FOLH1TTRREN
SCHEMBL23652015 0.93 CYP3A4 (0.41) CYP3A4SSTR2FOLH1TTRREN

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347149-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEAGEN INC. 2020-11-05 US disclosed
US-10808039-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS INC. (US) 2020-10-20 US disclosed
US-10414826-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2019-09-17 US disclosed
EP-3434275-A1 ASSAY FOR CANCER CELLS BASED ON THE USE OF AURISTATIN CONJUGATES WITH ANTIBODIES Seattle Genetics, Inc. (US) 2019-01-30 EP disclosed
US-20180127512-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEAGEN INC. 2018-05-10 US disclosed
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. 2017-01-05 US disclosed
EP-2489364-B1 Monomethylvaline compounds conjugated to antibodies SEATTLE GENETICS INC (US) 2015-01-07 EP disclosed
WO-2014134311-A1 ADMINISTRATION OF AN ANTI-GCC ANTIBODY-DRUG CONJUGATE AND A DNA DAMAGING AGENT IN THE TREATMENT OF CANCER MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-04 WO disclosed
US-20140220047-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2014-08-07 US disclosed
US-8703714-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2014-04-22 US disclosed
US-7745394-B2 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2010-06-29 US disclosed
US-7745394-B2 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2010-06-29 US disclosed
US-7498298-B2 Auristatin and dolastatin analogs; for treating cancer, autoimmune diseases and infectious diseases SEATTLE GENETICS, INC. (US) 2009-03-03 US disclosed
US-7498298-B2 Auristatin and dolastatin analogs; for treating cancer, autoimmune diseases and infectious diseases SEATTLE GENETICS, INC. (US) 2009-03-03 US disclosed
US-20090047296-A1 Antibodies conjugated to Auristatin analogs via a maleimidocaproyl lingages; for treating cancer, autoimmune diseases and infectious diseases SEATTLE GENETICS, INC. (US) 2009-02-19 US disclosed
US-20090047296-A1 Antibodies conjugated to Auristatin analogs via a maleimidocaproyl lingages; for treating cancer, autoimmune diseases and infectious diseases SEATTLE GENETICS, INC. (US) 2009-02-19 US disclosed
WO-2009012268-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES AND METHODS OF USE GENENTECH, INC. (US) 2009-01-22 WO disclosed
US-20080248051-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-10-09 US disclosed
US-20080226657-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-09-18 US disclosed
US-20080226657-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-09-18 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 (9 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-20180127512-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CYP3A4 1021/4885SSTR2 3233/4885FOLH1 237/4885
US-20090047296-A1 Antibodies conjugated to Auristatin analogs via a maleimidocaproyl lingages; for treating cancer, autoimmune diseases and infectious diseases MMAB, CAD, TRIM59 CYP3A4 2414/4885SSTR2 2018/4885FOLH1 343/4885
US-20140220047-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CYP3A4 1021/4885SSTR2 3233/4885FOLH1 237/4885
US-10414826-B2 Monomethylvaline compounds capable of conjugation to ligands MMAB, CAD, VIM CYP3A4 1021/4885SSTR2 3233/4885FOLH1 237/4885
US-10808039-B2 Monomethylvaline compounds capable of conjugation to ligands MMAB, CAD, VIM CYP3A4 1021/4885SSTR2 3233/4885FOLH1 237/4885
US-20080226657-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases MMAB, CAD, VIM CYP3A4 1668/4885SSTR2 2848/4885FOLH1 385/4885
US-20080248051-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases MMAB, CAD, VIM CYP3A4 1668/4885SSTR2 2848/4885FOLH1 385/4885
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CYP3A4 1021/4885SSTR2 3233/4885FOLH1 237/4885
US-20200347149-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CYP3A4 1021/4885SSTR2 3233/4885FOLH1 237/4885

“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.