SCHEMBL3219669

SCHEMBL3219669

COc1ccc(COC(=O)C(N)Cc2ccccc2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 3/20 0.47
GAA P10253 1/20 0.47
CTSD P07339 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRK1 P41145 1/20 0.44

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
SCHEMBL238387 1.00 CAPN1 (0.49) CAPN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL30063540 0.87 FFAR1 (0.49) CAPN1
SCHEMBL27168283 0.87 FFAR1 (0.49) CAPN1
SCHEMBL27168286 0.87 FFAR1 (0.49) CAPN1
SCHEMBL12285134 0.86 TSHR (0.49) CAPN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL19296181 0.85 PARP10 (0.50) ALDH1A1KDM4ETSHRGAACTSD
SCHEMBL20597773 0.85 PARP10 (0.50) ALDH1A1KDM4ETSHRGAACTSD
SCHEMBL15634364 0.82 LTA4H (0.56) ALDH1A1NPC1
SCHEMBL1701896 0.82 LTA4H (0.56) ALDH1A1NPC1
SCHEMBL7270126 0.82 LTA4H (0.56) ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107213469-A Monomethyl valine compound that can be with ligand coupling 西雅图基因公司 2017-09-29 CN disclosed
CN-103394083-B Monomethyl valine compound that can be with ligand coupling 西雅图基因公司 2017-07-18 CN disclosed
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. 2017-01-05 US disclosed
US-8703714-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2014-04-22 US disclosed
US-8557780-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2013-10-15 US disclosed
US-20120034247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-09 US disclosed
US-20120034246-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-09 US disclosed
US-20120027784-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-02 US disclosed
US-20120027783-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-02 US disclosed
US-20120003248-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-01-05 US disclosed
US-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-01-05 US disclosed
US-7964566-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2011-06-21 US disclosed
US-7964567-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2011-06-21 US disclosed
US-20080248053-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-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
CN-1938046-A Monomethylvaline compounds capable of coupling to ligands SEATTLE GENETICS INC (US) 2007-03-28 CN 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-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885KDM4E 1223/4885
US-20080248053-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 CAPN1 4327/4885ALDH1A1 3798/4885KDM4E 1655/4885
US-20120027783-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885KDM4E 1223/4885
US-20120027784-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885KDM4E 1223/4885
US-20120034247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885KDM4E 1223/4885
US-20120034246-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885KDM4E 1223/4885
US-20120003248-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885KDM4E 1223/4885
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 CAPN1 4327/4885ALDH1A1 3798/4885KDM4E 1655/4885
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885KDM4E 1223/4885

“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.