SCHEMBL4551049

SCHEMBL4551049

CCCCCC(CC(=O)O)C(N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.52
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
FFAR1 O14842 2/20 0.46
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
SLC1A3 P43003 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL4551050 1.00 GPR84 (0.52) GPR84GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL3100665 0.88 GRIK1 (0.53) GPR84GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL2983833 0.88 GRIK1 (0.53) GPR84GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL2983835 0.88 GRIK1 (0.53) GPR84GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL3024374 0.86 GPR84 (0.55) GPR84GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL14895463 0.86 TDP1 (0.43) GPR84GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL7193866 0.86 GPR84 (0.55) GPR84GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL28303044 0.86 GPR84 (0.55) GPR84GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL8058165 0.80 GPR84 (0.47) GPR84GRIK1GRIK2MAPTS1PR2
SCHEMBL5074154 0.80 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD

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
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
US-20140272066-A1 GLUTAMIC ACID DERIVATIVES GIVAUDAN SA (CH) 2014-09-18 US disclosed
US-20140272066-A1 GLUTAMIC ACID DERIVATIVES GIVAUDAN SA (CH) 2014-09-18 US disclosed
US-20140272066-A1 GLUTAMIC ACID DERIVATIVES GIVAUDAN SA (CH) 2014-09-18 US disclosed
EP-2770845-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2014-09-03 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
WO-2013060814-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-02 WO 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 GPR84 2506/4885GRIK1 1312/4885GRIK2 1346/4885
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP GPR84 2506/4885GRIK1 1312/4885GRIK2 1346/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS GPR84 2271/4885GRIK1 1290/4885GRIK2 1321/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP GPR84 2577/4885GRIK1 1310/4885GRIK2 1335/4885

“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.