SCHEMBL10046236

SCHEMBL10046236

CC(C)(C)OC(=O)NC(CCCNC(=N)N)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ CTSK P43235 4/20 0.37
▸ CTSS P25774 1/20 0.37
▸ ITGB3 P05106 7/20 0.37
▸ ITGA2B P08514 7/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ CAPN1 P07384 1/20 0.35

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
SCHEMBL10190377 0.92 MEN1 (0.40) MEN1KMT2AGAAKLK7KLK5
SCHEMBL12604209 0.90 MEN1 (0.48) MEN1KMT2AGAAKLK7KLK5
SCHEMBL30895563 0.90 MEN1 (0.48) MEN1KMT2AGAAKLK7KLK5
SCHEMBL3754005 0.87 TDP1 (0.48) MEN1KMT2AGAAKLK7KLK5
SCHEMBL29400712 0.87 TDP1 (0.48) MEN1KMT2AGAAKLK7KLK5
SCHEMBL9931542 0.87 TDP1 (0.48) MEN1KMT2AGAAKLK7KLK5
SCHEMBL29693333 0.86 KLK7 (0.36) MEN1KMT2AGAAKLK7KLK5
SCHEMBL16076756 0.84 MEN1 (0.49) MEN1KMT2AGAAKLK7KLK5
SCHEMBL18791214 0.84 ITGB3 (0.45) KLK7KLK5CTSKCTSSITGB3
SCHEMBL6473963 0.84 ITGB3 (0.45) KLK7KLK5CTSKCTSSITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299417-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS UNITED STATES GOVERNMENT 2020-09-24 — — US disclosed
US-20180127518-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS UNITED STATES GOVERNMENT 2018-05-10 — — US disclosed
US-9732164-B2 Chitosan-derivative compounds and methods of controlling microbial populations SYNEDGEN, INC. (US) 2017-08-15 — — US disclosed
US-20160060362-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS UNITED STATES GOVERNMENT 2016-03-03 — — US disclosed
US-9029351-B2 Chitosan-derivative compounds and methods of controlling microbial populations SYNEDGEN, INC. (US) 2015-05-12 — — US disclosed
US-20140301955-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS SYNEDGEN, INC. (US) 2014-10-09 — — US disclosed
US-8658775-B2 Chitosan-derivative compounds and methods of controlling microbial populations UNITED STATES GOVERNMENT 2014-02-25 — — US disclosed
US-20120329753-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS UNITED STATES GOVERNMENT 2012-12-27 — — US disclosed
US-8119780-B2 Chitosan-derivative compounds and methods of controlling microbial populations SYNEDGEN, INC. (US) 2012-02-21 — — US disclosed
US-8119780-B2 Chitosan-derivative compounds and methods of controlling microbial populations SYNEDGEN, INC. (US) 2012-02-21 — — US disclosed
US-20070281904-A1 Chitosan-derivative compounds and methods of controlling microbial populations UNITED STATES GOVERNMENT 2007-12-06 — — US disclosed
US-20070281904-A1 Chitosan-derivative compounds and methods of controlling microbial populations UNITED STATES GOVERNMENT 2007-12-06 — — 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 (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-20180127518-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS ARG1, NRDC, CHIA MEN1 1385/4885KMT2A 2126/4885GAA 496/4885
US-20120329753-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS ARG1, NRDC, CHIA MEN1 1385/4885KMT2A 2126/4885GAA 496/4885
US-20200299417-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS ARG1, NRDC, CHIA MEN1 1385/4885KMT2A 2126/4885GAA 496/4885
US-20070281904-A1 Chitosan-derivative compounds and methods of controlling microbial populations ARG1, NRDC, CHIA MEN1 1385/4885KMT2A 2126/4885GAA 496/4885
US-20140301955-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS ARG1, NRDC, CHIA MEN1 1385/4885KMT2A 2126/4885GAA 496/4885

“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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