SCHEMBL4403267

SCHEMBL4403267

N[C@@H](Cc1ccccc1Cl)C(=O)c1ccc([C](c2ccccc2)c2ccccc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.44
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KMO O15229 2/20 0.37
NR4A2 P43354 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC8 Q9BY41 6/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GCK P35557 1/20 0.35
HIF1A Q16665 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35

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
SCHEMBL2800230 0.87 SLC7A5 (0.46) MDM2KMOHDAC8
SCHEMBL14843883 0.83 KMO (0.40) KMONPC1RAB9ASMN1; SMN2
SCHEMBL2333132 0.82 KMT2A (0.57) L3MBTL1HDAC8MEN1KMT2ASMN1; SMN2
SCHEMBL5067808 0.82 HDAC8 (0.41) NPC1RAB9AHDAC8KMT2A
SCHEMBL4420284 0.81 GRN (0.40) KMONPC1RAB9A
SCHEMBL5067796 0.78 CA1 (0.38) KMONPC1RAB9AMEN1KMT2A
SCHEMBL6897797 0.76 NPC1 (0.38) KMONPC1RAB9AHDAC1MEN1
SCHEMBL298903 0.73 PKM (0.58) PPARGPPARAL3MBTL1MEN1KMT2A
SCHEMBL35491891 0.73 PKM (0.58) PPARGPPARAL3MBTL1MEN1KMT2A
SCHEMBL29351556 0.73 PKM (0.58) PPARGPPARAL3MBTL1MEN1KMT2A

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 11 patents. 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 disclosed
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC. 2018-12-13 US disclosed
EP-2722051-B1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus SEATTLE GENETICS INC (US) 2018-11-07 EP disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
EP-2722051-A1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus Seattle Genetics, Inc. (US) 2014-04-23 EP disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
EP-1917020-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2008-05-07 EP disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 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 (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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP MDM2 1904/4885PPARG 4525/4885PPARA 4526/4885
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP MDM2 1904/4885PPARG 4525/4885PPARA 4526/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS MDM2 1886/4885PPARG 4557/4885PPARA 4588/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP MDM2 1921/4885PPARG 4514/4885PPARA 4525/4885

“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.