SCHEMBL233577

SCHEMBL233577

CC(C)[C@H](N)C(=O)OC(=O)CN.NC(=O)CC[C@H](N)C(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
SLC1A1 P43005 2/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GSR P00390 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRIK1 P39086 1/20 0.32
GRM5 P41594 1/20 0.32
GRIA1 P42261 1/20 0.32

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
Valine SCHEMBL10428653 0.85 ALOX15 (0.53) ALOX15BLMPMP22KMT2ANOS3
SCHEMBL10382573 0.84 ALOX15 (0.43) ALOX15BLMPMP22KMT2ANOS3
Glutamine SCHEMBL10496120 0.84 KMT2A (0.59) ALOX15BLMPMP22KMT2ANOS3
SCHEMBL9716089 0.81 ALOX15 (0.43) ALOX15BLMPMP22KMT2ANOS3
SCHEMBL5082336 0.81 ALOX15 (0.67) ALOX15BLMPMP22KMT2ANOS3
SCHEMBL1537476 0.81 ALOX15 (0.67) ALOX15BLMPMP22KMT2ANOS3
Glutamine SCHEMBL14966642 0.81 ALOX15 (0.38) ALOX15BLMPMP22KMT2A
Glutamine SCHEMBL9716071 0.80 ALOX15 (0.40) ALOX15BLMPMP22KMT2ASLC1A1
Lysine SCHEMBL2385063 0.80 GSR (0.42) ALOX15BLMPMP22KMT2ANOS3
Glutamine SCHEMBL7559917 0.79 ALOX15 (0.70) ALOX15BLMPMP22KMT2ANOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498289-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2019-06-19 EP claimed
EP-2722051-B1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus SEATTLE GENETICS INC (US) 2018-11-07 EP claimed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP claimed
EP-2722051-A1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus Seattle Genetics, Inc. (US) 2014-04-23 EP claimed
US-8703714-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2014-04-22 US claimed
US-8512707-B2 Methods of treating drug-resistant cancers SEATTLE GENETICS, INC. (US) 2013-08-20 US claimed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US claimed
US-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-01-05 US claimed
US-20100260786-A1 METHODS OF TREATING DRUG-RESISTANT CANCERS SEATTLE GENETICS, INC. (US) 2010-10-14 US claimed
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 claimed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US claimed
EP-1917020-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2008-05-07 EP claimed
WO-2007137170-A2 ANTI-GLYPICAN-3 ANTIBODY DRUG CONJUGATES SEATTLE GENETICS, INC. (US) 2007-11-29 WO claimed
WO-2007103288-A2 ENGINEERED ANTIBODY DRUG CONJUGATES SEATTLE GENETICS, INC. (US) 2007-09-13 WO claimed
CN-1938046-A Monomethylvaline compounds capable of coupling to ligands SEATTLE GENETICS INC (US) 2007-03-28 CN claimed
WO-2007008848-A2 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO claimed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO claimed
EP-1725249-A2 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS Seattle Genetics, Inc. (US) 2006-11-29 EP claimed
US-20050238649-A1 Auristatin and dolastatin analogs; for treating cancer, autoimmune diseases and infectious diseases SEATTLE GENETICS, INC. (US) 2005-10-27 US claimed
WO-2005081711-A2 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2005-09-09 WO claimed

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-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM ALOX15 3567/4885BLM 1527/4885PMP22 4443/4885
US-20090047296-A1 Antibodies conjugated to Auristatin analogs via a maleimidocaproyl lingages; for treating cancer, autoimmune diseases and infectious diseases MMAB, CAD, TRIM59 ALOX15 2501/4885BLM 2185/4885PMP22 2840/4885
US-20100260786-A1 METHODS OF TREATING DRUG-RESISTANT CANCERS CD44, TP53, MKI67 ALOX15 1946/4885BLM 677/4885PMP22 865/4885
US-20050238649-A1 Auristatin and dolastatin analogs; for treating cancer, autoimmune diseases and infectious diseases CAD, MMAB, AURKC ALOX15 2393/4885BLM 2686/4885PMP22 3109/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS ALOX15 4410/4885BLM 3002/4885PMP22 3884/4885

“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.