SCHEMBL1025811

SCHEMBL1025811

CC(C)(C)N(CC(N)CN(C(=O)O)C(C)(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRIK1 P39086 1/20 0.33

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
Hydrochloric Acid SCHEMBL4854700 0.98 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTPTGS1
SCHEMBL1024449 0.90 MEN1 (0.31) MEN1KMT2AALDH1A1MAPTPTGS1
SCHEMBL18983137 0.90 MEN1 (0.31) MEN1KMT2AALDH1A1MAPTPTGS1
SCHEMBL20974094 0.90 MEN1 (0.31) MEN1KMT2AALDH1A1MAPTPTGS1
SCHEMBL15910556 0.86 SLC7A5 (0.41) MAPT
SCHEMBL20679747 0.86 ALDH1A1 (0.41) ALDH1A1GRIK1
SCHEMBL15910554 0.86 SLC7A5 (0.41) MAPT
SCHEMBL203296 0.84 GABRP (0.37) MEN1KMT2AALDH1A1MAPTPTGS1
SCHEMBL1248340 0.84 GABRP (0.37) MEN1KMT2AALDH1A1MAPTPTGS1
SCHEMBL18783615 0.82 MEN1 (0.30) MEN1KMT2AHTTL3MBTL1

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-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
EP-1697400-B1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO KG (DE) 2011-05-25 EP disclosed
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
WO-2005118613-A2 ANTIBACTERIAL AMIDE MACROCYCLES AICURIS GMBH & CO.KG (DE) 2005-12-15 WO disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 US disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 WO 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 MEN1 417/4885KMT2A 1095/4885ALDH1A1 277/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 MEN1 1754/4885KMT2A 2507/4885ALDH1A1 3883/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MEN1 417/4885KMT2A 1095/4885ALDH1A1 277/4885

“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.