SCHEMBL14433746

SCHEMBL14433746

O=C(O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.63
MME P08473 4/20 0.63
CASP3 P42574 2/20 0.62
CASP1 P29466 1/20 0.62
CASP9 P55211 1/20 0.62
NAALAD2 Q9Y3Q0 2/20 0.61
CASP7 P55210 1/20 0.54
ITGB3 P05106 4/20 0.54
ITGA2B P08514 4/20 0.54
CTSL P07711 1/20 0.54
TACR1 P25103 2/20 0.54
ACE P12821 1/20 0.54

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
SCHEMBL6552944 1.00 ECE1 (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL6552949 1.00 ECE1 (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL13884433 1.00 ECE1 (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL13589992 1.00 ECE1 (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL14778231 0.96 MME (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL2873941 0.96 MME (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL13957718 0.95 MME (0.64) ECE1MMECASP3CASP1CASP9
SCHEMBL1426719 0.95 MME (0.64) ECE1MMECASP3CASP1CASP9
SCHEMBL13884435 0.95 MME (0.64) ECE1MMECASP3CASP1CASP9
SCHEMBL2181857 0.94 CASP1 (0.62) ECE1MMECASP3CASP1CASP9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116064280-B Siamese bacillus and application thereof 大连工业大学 2024-05-07 CN disclosed
CN-116004423-B Bacillus bailii and application thereof 大连工业大学 2024-05-07 CN disclosed
CN-116064279-B Siamese bacillus and application thereof in low-salt fermentation of food 大连工业大学 2024-04-02 CN disclosed
CN-116004424-B Bacillus tequilensis and application thereof in low-salt fermentation of food 大连工业大学 2024-04-02 CN disclosed
CN-116064279-B Siamese bacillus and application thereof in low-salt fermentation of food 大连工业大学 2024-04-02 CN disclosed
CN-117511770-A Preparation method of direct-vat starter and application of direct-vat starter in fermentation of stinky mandarin fish 大连工业大学 2024-02-06 CN disclosed
CN-116064280-A Siamese bacillus and application thereof 大连工业大学 2023-05-05 CN disclosed
CN-116064279-A Siamese bacillus and application thereof in low-salt fermentation of food 大连工业大学 2023-05-05 CN disclosed
CN-116064279-A Siamese bacillus and application thereof in low-salt fermentation of food 大连工业大学 2023-05-05 CN disclosed
CN-116004424-A Bacillus tequilensis and application thereof in low-salt fermentation of food 大连工业大学 2023-04-25 CN disclosed
CN-116004423-A Bacillus bailii and application thereof 大连工业大学 2023-04-25 CN disclosed
CN-110582562-B Aspergillus fermentation product, food composition, cosmetic composition, raw material for Aspergillus fermentation product, process for producing Aspergillus fermentation product, and enzyme production promoter 悠绿那股份有限公司 2021-06-08 CN disclosed
CN-110582562-A Aspergillus fermentation product, food composition, cosmetic composition, raw material for Aspergillus fermentation product, process for producing Aspergillus fermentation product, and enzyme production promoter 悠绿那股份有限公司 2019-12-17 CN disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 US disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS ECE1 438/4885MME 186/4885CASP3 3221/4885

“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.