SCHEMBL6843570

SCHEMBL6843570

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.32
MMP13 P45452 1/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL1486174 1.00 AAK1 (0.32) AAK1MMP13TP53MEN1GAA
SCHEMBL1337447 1.00 AAK1 (0.32) AAK1MMP13TP53MEN1GAA
SCHEMBL1486172 1.00 AAK1 (0.32) AAK1MMP13TP53MEN1GAA
SCHEMBL28520254 1.00 AAK1 (0.32) AAK1MMP13TP53MEN1GAA
SCHEMBL67120 0.87 CA1 (0.33) AAK1MMP13MEN1GAAKMT2A
SCHEMBL59435 0.87 CA1 (0.33) AAK1MMP13MEN1GAAKMT2A
SCHEMBL2160514 0.87 CA1 (0.33) AAK1MMP13MEN1GAAKMT2A
SCHEMBL23749797 0.86 HDAC6 (0.32) AAK1MMP13HDAC1HDAC2HDAC6
SCHEMBL26449279 0.86 HDAC6 (0.32) AAK1MMP13HDAC1HDAC2HDAC6
SCHEMBL26449223 0.86 HDAC6 (0.32) AAK1MMP13HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813659-A Chiral aryl iodine catalyst with threonine as chiral source, and synthetic method and application thereof 浙江工业大学 2023-09-29 CN disclosed
EP-2782567-B1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) UNIV CALIFORNIA (US) 2017-03-22 EP disclosed
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) FOND ST ITALIANO TECNOLOGIA (IT) 2016-08-18 US disclosed
US-9353075-B2 Disubstituted beta-lactones as inhibitors of N-acylethanolamine acid amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 US disclosed
US-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-10-24 US disclosed
US-20040249155-A1 Certain glycine derivatives as factor xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY 2004-12-09 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 (3 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-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) NAAA, FAAH, FAAH2 AAK1 1020/4885MMP13 1645/4885TP53 4264/4885
US-20040249155-A1 Certain glycine derivatives as factor xa inhibitors for use in the treatment of thrombotic disorders F2, F11, SERPINC1 AAK1 2578/4885MMP13 3580/4885TP53 4845/4885
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) NAAA, FAAH, FAAH2 AAK1 1020/4885MMP13 1645/4885TP53 4264/4885

“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.