SCHEMBL2755700

SCHEMBL2755700

CO[C@H]([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)[C@@H]1CCCN1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
KLK5 Q9Y337 1/20 0.44
CACNA1B Q00975 2/20 0.44
YAP1 P46937 2/20 0.44
REN P00797 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL10168522 0.92 ACE (0.47) ACEATML3MBTL1MMP1MMP3
SCHEMBL2755697 0.92 ATM (0.54) ACEATML3MBTL1GAAALDH1A1
SCHEMBL20530134 0.90 YAP1 (0.51) ACEATML3MBTL1KLK5YAP1
SCHEMBL18811643 0.90 YAP1 (0.51) ACEATML3MBTL1KLK5YAP1
SCHEMBL14956963 0.90 YAP1 (0.51) ACEATML3MBTL1KLK5YAP1
SCHEMBL19394007 0.90 YAP1 (0.51) ACEATML3MBTL1KLK5YAP1
SCHEMBL20530136 0.90 YAP1 (0.51) ACEATML3MBTL1KLK5YAP1
SCHEMBL20530135 0.90 YAP1 (0.51) ACEATML3MBTL1KLK5YAP1
SCHEMBL2755704 0.89 ALDH1A1 (0.52) ACEATML3MBTL1ALDH1A1HSD17B10
SCHEMBL3267848 0.88 ACE (0.46) ACEATML3MBTL1KLK5CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703714-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2014-04-22 US disclosed
US-8703714-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2014-04-22 US disclosed
US-20120027783-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-20120003247-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-7994135-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2011-08-09 US disclosed
US-7994135-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2011-08-09 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-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
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 (4 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 ACE 3491/4885ATM 3298/4885L3MBTL1 824/4885
US-20090047296-A1 Antibodies conjugated to Auristatin analogs via a maleimidocaproyl lingages; for treating cancer, autoimmune diseases and infectious diseases MMAB, CAD, TRIM59 ACE 3066/4885ATM 3697/4885L3MBTL1 260/4885
US-20120027783-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM ACE 3491/4885ATM 3298/4885L3MBTL1 824/4885
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 ACE 3395/4885ATM 3168/4885L3MBTL1 470/4885

“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.