SCHEMBL10030546

SCHEMBL10030546

CC(C)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.71
▸ ALOX15 P16050 1/20 0.69
▸ ECE1 P42892 7/20 0.69
▸ POLB P06746 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ P2RY14 Q15391 1/20 0.65
▸ TP53 P04637 1/20 0.65
▸ ITGB2 P05107 2/20 0.65
▸ ICAM1 P05362 2/20 0.65
▸ ITGAL P20701 2/20 0.65
▸ MME P08473 1/20 0.64

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
SCHEMBL28542954 0.93 ACE (0.71) ACEALOX15ECE1POLBMEN1
SCHEMBL28542953 0.93 ACE (0.71) ACEALOX15ECE1POLBMEN1
SCHEMBL15004693 0.90 ERAP2 (0.67) ACEECE1
SCHEMBL15004694 0.88 ACE (0.62) ACEALOX15ECE1
SCHEMBL30195982 0.88 ALOX15 (0.72) ACEALOX15ECE1POLBMEN1
SCHEMBL4184039 0.88 ALOX15 (0.72) ACEALOX15ECE1POLBMEN1
SCHEMBL4184041 0.88 ALOX15 (0.72) ACEALOX15ECE1POLBMEN1
SCHEMBL15005417 0.87 ACE (0.61) ACEALOX15ECE1
SCHEMBL30919264 0.87 ALOX15 (0.67) ACEALOX15ECE1POLBMEN1
SCHEMBL8529176 0.87 ACE (0.69) ACEALOX15ECE1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165260-A1 PSEUDOMONAS STRAINS AND THEIR METABOLITES TO CONTROL PLANT DISEASES T3 Bioscience, LLC (US) 2023-06-01 — — US disclosed
US-20230165260-A1 PSEUDOMONAS STRAINS AND THEIR METABOLITES TO CONTROL PLANT DISEASES T3 Bioscience, LLC (US) 2023-06-01 — — US disclosed
US-11582973-B2 Pseudomonas strains and their metabolites to control plant diseases T3 Bioscience, LLC (US) 2023-02-21 — — US disclosed
US-20220104487-A1 PSEUDOMONAS STRAINS AND THEIR METABOLITES TO CONTROL PLANT DISEASES T3 BIOSCIENCE, INC. 2022-04-07 — — US disclosed
US-20170143835-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ADOCIA (FR) 2017-05-25 — — US disclosed
US-20140187499-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ADOCIA (FR) 2014-07-03 — — US disclosed
US-20120041079-A1 DEXTRAN FUNCTIONALIZED BY HYDROPHOBIC AMINO ACIDS ADOCIA (FR) 2012-02-16 — — 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 (6 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-11582973-B2 Pseudomonas strains and their metabolites to control plant diseases Q6ZSR9, O60361, PGLS ACE 2447/4885ALOX15 1157/4885ECE1 1689/4885
US-20120041079-A1 DEXTRAN FUNCTIONALIZED BY HYDROPHOBIC AMINO ACIDS SLC43A1, SLC1A5, DAO ACE 2874/4885ALOX15 1838/4885ECE1 3096/4885
US-20220104487-A1 PSEUDOMONAS STRAINS AND THEIR METABOLITES TO CONTROL PLANT DISEASES Q6ZSR9, O60361, IL17A ACE 2723/4885ALOX15 1454/4885ECE1 1705/4885
US-20170143835-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ALG8, FUT8, UGT8 ACE 540/4885ALOX15 3661/4885ECE1 1211/4885
US-20230165260-A1 PSEUDOMONAS STRAINS AND THEIR METABOLITES TO CONTROL PLANT DISEASES Q6ZSR9, O60361, PGLS ACE 2447/4885ALOX15 1157/4885ECE1 1689/4885
US-20140187499-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS FUT6, FUT5, FUT8 ACE 609/4885ALOX15 2027/4885ECE1 1367/4885

“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.

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