SCHEMBL424444

SCHEMBL424444

N[C@@H](CO)C(=O)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TBXAS1 P24557 9/20 0.36
EGLN3 Q9H6Z9 1/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
FDPS P14324 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAPT P10636 1/20 0.32
HMOX2 P30519 1/20 0.31

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
SCHEMBL11599993 0.78 SMYD3 (0.38) ALDH1A1TBXAS1EGLN3FAAHMGLL
SCHEMBL8532374 0.78 SMYD3 (0.38) ALDH1A1TBXAS1EGLN3FAAHMGLL
SCHEMBL28044667 0.78 GSR (0.46) TBXAS1
SCHEMBL9201894 0.75 TBXAS1 (0.33) ALDH1A1TBXAS1EGLN3FAAHMGLL
SCHEMBL13448304 0.75 HTT (0.36) ALDH1A1TBXAS1EGLN3FAAHMGLL
SCHEMBL28770447 0.74 PDE4A (0.43) ALDH1A1TBXAS1EGLN3FAAHMGLL
SCHEMBL7780136 0.74 ALDH1A1 (0.36) ALDH1A1TBXAS1EGLN3FAAHMGLL
SCHEMBL2143878 0.74 TBXAS1 (0.37) ALDH1A1TBXAS1EGLN3FAAHMGLL
SCHEMBL29240433 0.73 SLC1A1 (0.32)
SCHEMBL2577040 0.72 TSHR (0.42)

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-20170114014-A1 B-LACTAM COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-27 US disclosed
US-9469610-B2 β-lactam compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-18 US disclosed
US-8946408-B2 Method for synthesizing beta lactam compounds by decomposition of an alpha-diazo-beta-ketoamide using a fluorescent light source THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-02-03 US disclosed
US-20120184731-A1 Method for synthesizing beta lactam compounds by decomposition of an alpha-diazo-beta-ketoamide using a fluorescent light source THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-07-19 US disclosed
US-20120022248-A1 B-LACTAM COMPOUNDS The Regents of the University of Technology Office of Technology Transfer (US) 2012-01-26 US disclosed
WO-2011115613-A1 A METHOD FOR SYNTHESIZING BETA-LACTAM COMPOUNDS BY DECOMPOSITION OF AN ALPHA-DIAZO-BETA-KETOAMIDE USING A FLUORESCENT LIGHT SOURCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-22 WO disclosed
WO-2010105267-A2 β-LACTAM COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-09-16 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-20120022248-A1 B-LACTAM COMPOUNDS COASY, BBOX1, GNE ALDH1A1 2472/4885TBXAS1 751/4885EGLN3 1502/4885
US-20120184731-A1 Method for synthesizing beta lactam compounds by decomposition of an alpha-diazo-beta-ketoamide using a fluorescent light source PTMA, GLA, GLB1 ALDH1A1 937/4885TBXAS1 1089/4885EGLN3 637/4885
US-20170114014-A1 B-LACTAM COMPOUNDS COASY, BBOX1, GNE ALDH1A1 2472/4885TBXAS1 751/4885EGLN3 1502/4885

“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.