SCHEMBL14027734

SCHEMBL14027734

CC(C)(C)OC(=O)NCC[C@@H](CN=[N+]=[N-])NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.40
▸ EPHX1 P07099 1/20 0.37
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA7 P43166 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CTSK P43235 9/20 0.36
▸ CTSS P25774 5/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ SYK P43405 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL13480459 0.92 MEN1 (0.52) MEN1GAAKMT2ATDP1CA1
SCHEMBL13767610 0.91 MEN1 (0.48) MEN1GAAKMT2ATDP1CA1
SCHEMBL17175341 0.87 MEN1 (0.40) MEN1GAAKMT2ATDP1CA1
SCHEMBL25658173 0.87 CA1 (0.42) MEN1GAAKMT2ACA1CA2
SCHEMBL27696913 0.86 CTSK (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL24629628 0.84 CTSK (0.36) MEN1GAAKMT2ACA1CA2
SCHEMBL28969072 0.84 ATM (0.36) MEN1GAAKMT2ACA1CA2
SCHEMBL28969069 0.84 ATM (0.36) MEN1GAAKMT2ACA1CA2
SCHEMBL14220437 0.84 CYP2D6 (0.39) MEN1GAAKMT2ACA1CA2
SCHEMBL20953714 0.84 SYK (0.60) CTSSSYKATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 — — US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 — — US disclosed
CN-101090909-A Antibacterial amide macrocycles IV AICURIS GMBH & CO KG (DE) 2007-12-19 — — CN 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC MEN1 2081/4885GAA 342/4885KMT2A 3059/4885

“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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