SCHEMBL2307682

SCHEMBL2307682

CC(C)(C)OC(=O)[C@@H](N)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
SLC7A5 Q01650 1/20 0.47
GRIK1 P39086 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
ANPEP P15144 2/20 0.45
ERAP1 Q9NZ08 2/20 0.45
ERAP2 Q6P179 2/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43

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
SCHEMBL2307679 1.00 LTA4H (0.55) LTA4HCTSSCTSKSLC7A5GRIK1
SCHEMBL27878054 1.00 LTA4H (0.55) LTA4HCTSSCTSKSLC7A5GRIK1
Hydrochloric Acid SCHEMBL29264506 0.98 LTA4H (0.54) LTA4HCTSSCTSKSLC7A5GRIK1
SCHEMBL15989154 0.91 GRIK1 (0.55) LTA4HCTSSCTSKSLC7A5GRIK1
SCHEMBL7077555 0.91 GRIK1 (0.55) LTA4HCTSSCTSKSLC7A5GRIK1
SCHEMBL15989178 0.90 LTA4H (0.52) LTA4HCTSSCTSKSLC7A5GRIK1
SCHEMBL8555976 0.87 SMN1; SMN2 (0.49) LTA4HGRIK1SMN1; SMN2ANPEPERAP1
SCHEMBL15989057 0.87 SMN1; SMN2 (0.46) LTA4HGRIK1SMN1; SMN2ANPEPERAP1
SCHEMBL29831840 0.86 CYP3A4 (0.43) LTA4HCTSSCTSKSLC7A5LNPEP
SCHEMBL5707507 0.85 METAP2 (0.58) LTA4HCTSSCTSKITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112830957-B Method for preparing carfilzomib 江西师范大学 2022-07-22 CN disclosed
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2021-06-08 US disclosed
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-05-28 US disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
EP-2350031-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA Ensemble Therapeutics Corporation (US) 2011-08-03 EP disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US disclosed
WO-2010022249-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE DISCOVERY CORPORATION (US) 2010-02-25 WO disclosed
US-6403055-B1 CARBOXYLATED POLYAMINE COMPOUND DIBRA S.P.A. (IT) 2002-06-11 US disclosed
US-5932551-A INHIBITORS OF MATRIX METALLOENDOPROTEINASE-MEDIATED DISEASES MERCK & CO., INC. (US) 1999-08-03 US disclosed
EP-0586537-A4 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO INC (US) 1997-06-25 EP disclosed
EP-0586537-A1 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO. INC. (US) 1994-03-16 EP disclosed
WO-1992021360-A1 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO., INC. (US) 1992-12-10 WO disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 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 (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-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 LTA4H 3079/4885CTSS 2988/4885CTSK 3528/4885
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 LTA4H 1542/4885CTSS 1259/4885CTSK 1186/4885
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS TLR2, TLR4, TLR1 LTA4H 516/4885CTSS 2199/4885CTSK 3845/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A LTA4H 98/4885CTSS 492/4885CTSK 414/4885
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 LTA4H 1542/4885CTSS 1259/4885CTSK 1186/4885

“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.