SCHEMBL2307679

SCHEMBL2307679

CC(C)(C)OC(=O)C(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
SCHEMBL2307682 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024637-B Method for preparing carfilzomib by taking water-soluble alkynylamide as condensing agent 江西师范大学 2023-05-16 CN claimed
CN-113024637-A Method for preparing carfilzomib by using water-soluble alkynylamide as condensing agent 江西师范大学 2021-06-25 CN claimed
CN-113024637-B Method for preparing carfilzomib by taking water-soluble alkynylamide as condensing agent 江西师范大学 2023-05-16 CN disclosed
CN-113024637-B Method for preparing carfilzomib by taking water-soluble alkynylamide as condensing agent 江西师范大学 2023-05-16 CN disclosed
CN-113024637-A Method for preparing carfilzomib by using water-soluble alkynylamide as condensing agent 江西师范大学 2021-06-25 CN disclosed
CN-113024637-A Method for preparing carfilzomib by using water-soluble alkynylamide as condensing agent 江西师范大学 2021-06-25 CN disclosed
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
CN-102766058-A Synthetic method of alpha-amino acid with photolytic activity CHINESE ACAD INST CHEMISTRY 2012-11-07 CN disclosed
CN-102675135-A Method for synthesizing alpha-amino-acid ester CHINESE ACAD INST CHEMISTRY 2012-09-19 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A LTA4H 98/4885CTSS 492/4885CTSK 414/4885

“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.