SCHEMBL4544292

SCHEMBL4544292

CCCCCC(C)[C@H](N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.52
GRIK2 Q13002 2/20 0.52
SLC1A2 P43004 2/20 0.52
SLC1A1 P43005 2/20 0.52
GPR84 Q9NQS5 3/20 0.50
ACE2 Q9BYF1 1/20 0.50
FFAR1 O14842 1/20 0.50
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
OPRM1 P35372 1/20 0.48
CA1 P00915 2/20 0.45
SPHK1 Q9NYA1 1/20 0.45
SLC7A5 Q01650 1/20 0.44
SLC1A3 P43003 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LAP3 P28838 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
SCHEMBL4544294 1.00 GRIK1 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL7059028 0.98 GPR84 (0.53) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL6139186 0.98 GPR84 (0.53) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL5296193 0.98 GPR84 (0.53) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL7080471 0.98 GPR84 (0.53) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL7059832 0.98 GPR84 (0.53) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL7079206 0.98 GPR84 (0.53) GRIK1GRIK2SLC1A2SLC1A1GPR84
Hydrochloric Acid SCHEMBL7053878 0.98 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL7054887 0.96 GPR84 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84
Hydrochloric Acid SCHEMBL7053318 0.96 GPR84 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84

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
CN-1118476-C Antiviral protease inhibitors MEDIVIR AB (SE) 2003-08-20 CN disclosed
CN-1258301-A Antiviral protease inhibitors MEDIVIR AB (SE) 2000-06-28 CN 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 GRIK1 1312/4885GRIK2 1346/4885SLC1A2 640/4885
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP GRIK1 1312/4885GRIK2 1346/4885SLC1A2 640/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS GRIK1 1290/4885GRIK2 1321/4885SLC1A2 571/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP GRIK1 1310/4885GRIK2 1335/4885SLC1A2 640/4885

“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.