SCHEMBL233300

SCHEMBL233300

COc1ccc(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
CAPN1 P07384 2/20 0.46
NPC1 O15118 1/20 0.45
PTPN1 P18031 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MDM4 O15151 1/20 0.44
TP53 P04637 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
SCHEMBL13928511 1.00 MDM2 (0.47) MDM2ALDH1A1ALOX15CAPN1NPC1
SCHEMBL30431821 0.90 MDM2 (0.49) MDM2PTPN1MEN1KMT2AMDM4
SCHEMBL19296186 0.89 MDM2 (0.43) MDM2PTPN1KMT2AMDM4TP53
SCHEMBL20597255 0.89 MDM2 (0.43) MDM2PTPN1KMT2AMDM4TP53
SCHEMBL13342847 0.88 CAPN1 (0.38) MDM2ALDH1A1ALOX15CAPN1NPC1
SCHEMBL3266274 0.88 CAPN1 (0.38) MDM2ALDH1A1ALOX15CAPN1NPC1
SCHEMBL38666359 0.87 MDM2 (0.53) MDM2ALDH1A1ALOX15MEN1KMT2A
SCHEMBL2251221 0.86 MDM2 (0.46) MDM2PTPN1KMT2AMDM4TP53
SCHEMBL8106707 0.82 MDM2 (0.54) MDM2PTPN1KMT2AMDM4TP53
SCHEMBL12052763 0.82 MDM2 (0.54) MDM2PTPN1KMT2AMDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858387-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS Seagen Inc. (US) 2021-08-04 EP disclosed
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-20190338045-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEAGEN INC. 2019-11-07 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
EP-3120861-A1 INTERMEDIATE FOR CONJUGATE PREPARATION COMPRISING AURISTATIN DERIVATIVES AND A LINKER Seattle Genetics, Inc. (US) 2017-01-25 EP disclosed
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. 2017-01-05 US disclosed
US-20160256563-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 161P2F10B PROTEINS AGENSYS, INC. 2016-09-08 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-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-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
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
CN-1938046-A Monomethylvaline compounds capable of coupling to ligands SEATTLE GENETICS INC (US) 2007-03-28 CN disclosed
EP-1725249-A2 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS Seattle Genetics, Inc. (US) 2006-11-29 EP disclosed
US-20050238649-A1 Auristatin and dolastatin analogs; for treating cancer, autoimmune diseases and infectious diseases SEATTLE GENETICS, INC. (US) 2005-10-27 US disclosed
WO-2005081711-A2 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2005-09-09 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 (12 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-20160256563-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 161P2F10B PROTEINS CD2BP2, IGSF11, EPB41L2 MDM2 2907/4885ALDH1A1 994/4885ALOX15 4564/4885
US-20180127512-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM2 1786/4885ALDH1A1 3456/4885ALOX15 3567/4885
US-20090047296-A1 Antibodies conjugated to Auristatin analogs via a maleimidocaproyl lingages; for treating cancer, autoimmune diseases and infectious diseases MMAB, CAD, TRIM59 MDM2 2767/4885ALDH1A1 3543/4885ALOX15 2501/4885
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 MDM2 3113/4885ALDH1A1 3798/4885ALOX15 3050/4885
US-20190338045-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM2 1786/4885ALDH1A1 3456/4885ALOX15 3567/4885
US-10414826-B2 Monomethylvaline compounds capable of conjugation to ligands MMAB, CAD, VIM MDM2 1786/4885ALDH1A1 3456/4885ALOX15 3567/4885
US-20050238649-A1 Auristatin and dolastatin analogs; for treating cancer, autoimmune diseases and infectious diseases CAD, MMAB, AURKC MDM2 4027/4885ALDH1A1 4361/4885ALOX15 2393/4885
US-10808039-B2 Monomethylvaline compounds capable of conjugation to ligands MMAB, CAD, VIM MDM2 1786/4885ALDH1A1 3456/4885ALOX15 3567/4885
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 MDM2 3113/4885ALDH1A1 3798/4885ALOX15 3050/4885
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 MDM2 3113/4885ALDH1A1 3798/4885ALOX15 3050/4885
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM2 1786/4885ALDH1A1 3456/4885ALOX15 3567/4885
US-20200347149-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MDM2 1786/4885ALDH1A1 3456/4885ALOX15 3567/4885

“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.