SCHEMBL4854891

SCHEMBL4854891

CC(C)=CCC(N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 14/20 0.68
GRIK2 Q13002 11/20 0.68
SLC7A5 Q01650 1/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC7A11 Q9UPY5 1/20 0.42
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
GRIA2 P42262 2/20 0.39
GRIA4 P48058 2/20 0.39
GRIK3 Q13003 2/20 0.39
GRIK5 Q16478 2/20 0.39
GRIA1 P42261 1/20 0.39

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
SCHEMBL12064021 1.00 GRIK1 (0.68) GRIK1GRIK2SLC7A5FNTAFNTB
SCHEMBL29950721 1.00 GRIK1 (0.68) GRIK1GRIK2SLC7A5FNTAFNTB
SCHEMBL13979544 0.83 GRIK1 (0.53) GRIK1GRIK2SLC7A5FNTAFNTB
SCHEMBL11268753 0.80 GRIK1 (0.52) GRIK1GRIK2SLC7A5GRIA2GRIA4
SCHEMBL7019713 0.77 GRIK1 (0.53) GRIK1GRIK2FNTAFNTBSLC1A3
SCHEMBL3092195 0.77 FNTA (0.63) GRIK1GRIK2FNTAFNTB
Acetic Acid SCHEMBL31261309 0.74 GRIK1 (0.59) GRIK1GRIK2SLC7A5PTGS1SLC7A11
SCHEMBL5142671 0.74 GRIK1 (0.46) GRIK1GRIK2
SCHEMBL12727947 0.74 GRIK1 (0.46) GRIK1GRIK2SLC7A5PTGS1SLC7A11
SCHEMBL8651762 0.74 GRIK1 (0.52) GRIK1GRIK2SLC7A5PTGS1SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018128826-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2018-07-12 WO claimed
WO-2018006063-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2018-01-04 WO claimed
WO-2004021981-A2 METHODS FOR THE PREPARATION OF β-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-18 WO claimed
US-20030113882-A1 Methods for the preparation of beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-06-19 US claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
CN-109790114-B Novel chiral ligand, metal chelate, various unnatural amino acids and synthesis method of maraviroc and key intermediate thereof 中国科学院上海药物研究所 2025-03-07 CN disclosed
CN-117603094-A Synthesis method of amino-protected 2-aminomethyl olefine acid derivative 苏州爱玛特生物科技有限公司 2024-02-27 CN disclosed
US-20230190950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-22 US disclosed
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-01 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 WO disclosed
EP-0308983-A2 NMR imaging with Mn(II) coordination compositions SALUTAR, INC. (US) 1989-03-29 EP disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP 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 (3 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-20230190950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A GRIK1 3480/4885GRIK2 3663/4885SLC7A5 2733/4885
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A GRIK1 3480/4885GRIK2 3663/4885SLC7A5 2733/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP GRIK1 2914/4885GRIK2 3197/4885SLC7A5 75/4885

“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.